Skip to main content
Elsevier

Books in Drug design

Focusing on rational and computational approaches, this collection explores the principles of molecular recognition, ligand-receptor interactions, and structure-based drug development. Supporting medicinal chemists, pharmacologists, and researchers, it highlights innovative strategies for discovering new therapeutics. Featuring case studies, modeling techniques, and high-throughput screening, these resources accelerate the creation of effective, safe, and targeted medicines.

  • Nanoengineered Therapeutics for Lung Cancer

    Advanced Drug Delivery Strategies
    • 1st Edition
    • Arun Kumar Singh + 4 more
    • English
    Nanoengineered Therapeutics for Lung Cancer: Advanced Drug Delivery Strategies explores contemporary methods for diagnosing and treating lung cancer using cutting-edge nanotechnology. The book provides a foundational understanding of lung cancer biology, detailing innovative nanodrug delivery strategies and their practical applications in treatment. The content is strategically structured, covering the design, synthesis, and application of nanodrug delivery systems. Chapters delve into specific technologies such as gold nanoparticles, exosome-mediated therapies, and siRNA-based gene silencing. The book also addresses challenges like drug resistance and toxicity, offering insights into future research directions and advancements in the field. This book benefits graduate students, researchers, and healthcare professionals by seamlessly integrating theoretical concepts with practical applications. It serves as an essential educational resource, equipping readers with the knowledge and skills needed to tackle complex challenges in lung cancer treatment using nanomedicine. This comprehensive guide ensures that readers stay at the forefront of the rapidly evolving landscape of cancer therapeutics.

  • Advancing Integrative Medicine Through Medical Intelligence

    Introduction to Medical Intelligence with Integrative Medicine
    • 1st Edition
    • Sumbul + 1 more
    • English
    Advancing Integrative Medicine Through Medical Intelligence: Introduction to Medical Intelligence with Integrative Medicine explores the synergy between advanced technologies like AI, data analytics, and traditional medicine. This comprehensive book examines how these fields converge to enhance healthcare outcomes by covering key topics such as the role of AI in modern medicine, the integration of traditional practices like Ayurveda and Unani with AI, and holistic approaches for patient care. It also includes AI-assisted mental health interventions, disease prevention through traditional methods, and AI in diagnosing chronic diseases and managing pain.Academics, researchers, and healthcare professionals will find this book invaluable for understanding how to combine AI and integrative medicine to improve health outcomes. It offers practical case studies and explores emerging trends that will shape the future of healthcare, making it a crucial resource for those interested in the evolving landscape of medical practices.

  • Developing Solid Oral Dosage Forms

    Pharmaceutical Theory and Practice
    • 3rd Edition
    • Yihong Qiu + 4 more
    • English
    Developing Solid Oral Dosage Forms: Pharmaceutical Theory and Practice, Third Edition is a comprehensive and up-to-date guide for professionals and academics engaged in all aspects of oral dosage form development, from discovery support through commercial manufacturing. This new edition features 13 new or rewritten chapters, along with significant updates to existing content, reflecting the latest advancements in the field, including new theories, scientific findings, approaches, techniques, modeling, and the emerging opportunities offered by AI.This book consists of 44 chapters covering in-depth principles of physical pharmacy, biopharmaceutics, and industrial pharmacy, and their applications throughout the R&D process and commercial production of oral dosage forms. New chapters address topics such as absorption evaluation of oral dosage forms, formulation principles, and applications based on supersaturation, patient-centric product design, product design through the 505(b)(2) NDA pathway, design of experiments (DoE), process modeling, 3D printing, and machine learning applications in commercial manufacturing. Existing chapters have been updated or completely rewritten to provide advanced information and include practical case studies. Important topics such as amorphous solid dispersions, modified-release delivery, manufacturing technologies, modeling and simulation, fundamentals of dissolution and bioequivalence, IVIVC, biowaivers, regulatory frameworks, and many others are covered.The new edition of this book is an indispensable resource for industry professionals, academic institutions, and regulatory bodies seeking to stay current with advances in solid dosage form development and manufacturing. It offers a thorough understanding of fundamental principles and techniques, along with practical guidance on applying these concepts to real-world challenges.

  • Artificial Intelligence in Precision Drug Design, Volume 2

    Advanced Applications
    • 1st Edition
    • Khalid Raza
    • English
    Artificial Intelligence in Precision Drug Design, Volume 2: Advanced Applications explores the transformative role of AI in modern drug discovery and development, presenting cutting-edge research and methodologies that integrate machine learning, network pharmacology, and computational modeling to accelerate therapeutic innovation. It covers a wide range of applications, including AI-driven drug repurposing, combination therapies, cancer immunotherapy, neuroscience, vaccine development, and molecular dynamics, but also delves into emerging technologies such as quantum computing, large language models, and graph neural networks. Designed for academics, this volume provides researchers, clinicians, and graduate students with a resource on the latest AI methodologies in precision medicine.Users will find this to be a great resource that supports evidence-based innovation, fosters interdisciplinary collaboration, and equips them with insights to advance personalized healthcare solutions.

  • Artificial Intelligence in Precision Drug Design, Volume 1

    Foundations and Core Techniques
    • 1st Edition
    • Khalid Raza
    • English
    Artificial Intelligence in Precision Drug Design: Advanced Applications showcases how artificial intelligence (AI) is revolutionizing modern drug discovery and development. Building upon the foundational principles established in Volume 1, this book dives into real-world applications where AI accelerates innovation, enhances predictive accuracy, and enables breakthrough therapeutics. Featuring contributions from leading global researchers and practitioners, the book explores machine learning, deep learning, and network-based approaches applied to complex biomedical challenges. Key areas include AI driven drug repurposing, combination therapies, immunotherapy, vaccine design, quantum computing, and the integration of large language models in drug discovery. Additional chapters highlight predictive modeling using electronic health records, AI-powered medical imaging, and explainable AI for structure-based drug design. What sets this volume apart is its emphasis on practical impact, demonstrating how data, computation, and interdisciplinary collaboration converge to advance precision medicine. Designed for scientists, clinicians, educators, and students, it serves as both a comprehensive reference and a source of inspiration for leveraging AI to transform healthcare.

  • Green Analytical Methods and Miniaturized Sample Preparation techniques for Forensic Drug Analysis

    • 1st Edition
    • Rajeev Jain + 1 more
    • English
    Green Analytical Methods and Miniaturized Sample Preparation techniques for Forensic Drug Analysis provides a comprehensive overview of GAMs in forensic drug analysis, including green sample preparation techniques, in-situ analytical platforms (such as DIC and µPADs), and on-site sample preparation. The book discusses not only eco-friendly GAM’s, but also methods which provide high sample throughput and cost-effective analysis, and are therefore of immense use in resource limited laboratories of developing countries. This is a comprehensive source of literature for analytical scientists in this developing area of sustainable and affordable analytical methods.

  • Artificial Intelligence for Drug Product Lifecycle Applications

    • 1st Edition
    • Alberto Pais + 3 more
    • English
    Artificial Intelligence for Drug Product Lifecycle Applications explains the use of artificial intelligence (AI) in drug discovery and development paths, including the clinical and postapproval phases. This book gives methods for each of the drug development steps, from the fundamentals to postapproval drug product. AI is a synergistic assembly of enhanced optimization strategies with particular applications in pharmaceutical development and advanced tools for promoting cost-effectiveness throughout the drug lifecycle. Specifically, AI brings together the potential to improve drug approval rates, reduce development costs, get medications to patients faster, and help patients comply with their treatments.Accelerat... pharmaceutical development and drug product approval rates will enable larger profits from patent-protected market exclusivity. This book offers the tools and knowledge to create the right AI strategy to extend the landscape of AI applications across the drug lifecycle. It is especially useful for pharmaceutical scientists, health care professionals, and regulatory scientists, as well as advanced students and postgraduates actively involved in pharmaceutical product and process development involving the use of artificial intelligence in drug delivery applications.

  • A Comprehensive Guide to Toxicology in Nonclinical Drug Development

    • 3rd Edition
    • Ali S. Faqi
    • English
    **Selected for 2025 Doody’s Core Titles® in Toxicology**A Comprehensive Guide to Toxicology in Nonclinical Drug Development, Third Edition is a valuable reference providing a complete understanding of all aspects of nonclinical toxicology in pharmaceutical research. This updated edition has been expanded and re-developed covering a wide-range of toxicological issues in small molecules and biologics. Topics include ADME in drug discovery, pharmacokinetics, toxicokinetics, formulations, and genetic toxicology testing. The book has been thoroughly updated throughout to reflect the latest scientific advances and includes new information on antiviral drugs, anti-diabetic drugs, immunotherapy, and a discussion on post-pandemic drug development challenges and opportunities. This is an essential and practical resource for all toxicologists involved in nonclinical testing in industry, academic, and regulatory settings.

  • Nucleic Acids

    A Natural Target for Newly Designed Metal Chelate Based Drugs
    • 1st Edition
    • Irshad Ul Haq Bhat + 1 more
    • English
    Nucleic Acids: A Natural Target for Newly Designed Metal Chelate Based Drugs discusses how human diseases are becoming more costly to treat, along with updates on the resistance offered by disease-causing agents. The abundance of drugs in the market has provided great relief to patients, but side effects can destroy the immune system of the body. Patients need to boost their immune system, and at the same time cover expenses incurred to cure disease. Thus, a paradigm shift is needed to design a drug molecule with low cost and easy availability. Metal complexes can be a great example of such a shift, as metal ions are components of biological molecules and can achieve good binding capability to specific targets while not allowing them to damage healthy cell system. Therefore, in this book, a comprehensive compilation of recent data is provided, including the structural elucidation of metal complexes by advanced techniques and the binding pattern of metal complexes with specific targets.

  • Polymeric Nanosystems

    Theranostic Nanosystems, Volume 1
    • 1st Edition
    • Md Saquib Hasnain + 2 more
    • English
    Polymeric Nanosystems: Theranostic Nanosystems, Volume One examines the applications of nanotherapeutic systems and nanodiagnostics in relation to polymeric nanosystems. In the last decade, numerous biopolymers have been utilized to prepare polymeric nanosystems for therapeutic applications. These biopolymers include polylactic acid, polylactide-co-glyco... polycaprolactone, acrylic polymers, cellulose and cellulose derivatives, alginates, chitosan, gellan gum, gelatin, albumin, chontroitin sulfate, hyaluronic acid, guar gum, gum Arabic, gum tragacanth, xanthan gum, and starches. Besides these biopolymers, grafted polymers are also being used as advanced polymeric materials to prepare many theranostic nanocarriers and nanoformulations. This book explores the array of polymeric nanosystems to understand therapeutic potentials. It will be useful to pharmaceutical scientists, including industrial pharmacists and analytical scientists, health care professionals, and regulatory scientists actively involved in the pharmaceutical product and process development of tailor-made polysaccharides in drug delivery applications.

  • Advanced Nanoformulations

    Theranostic Nanosystems, Volume 3
    • 1st Edition
    • Md Saquib Hasnain + 2 more
    • English
    Advanced Nanoformulations: Theranostic Nanosystems, Volume Three examines the applications of nanotherapeutic systems and nanodiagnostics in relation to polymeric nanosystems. In the last decade, numerous biopolymers have been utilized to prepare polymeric nanosystems for therapeutic applications. These biopolymers include polylactic acid, polylactide-co-glyco... polycaprolactone, acrylic polymers, cellulose and cellulose derivatives, alginates, chitosan, gellan gum, gelatin, albumin, chontroitin sulfate, hyaluronic acid, guar gum, gum Arabic, gum tragacanth, xanthan gum, and starches. Besides these biopolymers, grafted polymers are also being used as advanced polymeric materials to prepare many theranostic nanocarriers and nanoformulations. This book explores the array of polymeric nanosystems to understand therapeutic potentials. It will be useful to pharmaceutical scientists, including industrial pharmacists and analytical scientists, health care professionals, and regulatory scientists actively involved in the pharmaceutical product and process development of tailor-made polysaccharides in drug delivery applications.

  • Smart Polymeric Nano-Constructs in Drug Delivery

    Concept, Design and Therapeutic Applications
    • 1st Edition
    • Suresh P Vyas + 2 more
    • English
    Smart Polymeric Nano-Constructs in Drug Delivery: Concept, Design and Therapeutic Applications provides a thorough discussion of the most state of the art material and polymer exploitations for the delivery of bioactive(s) as well as their current and clinical status. The book enables researchers to prepare a variety of smart drug delivery systems to investigate their properties as well as to discover their uses and applications. The novelty of this approach addresses an existing need of exhaustively understanding the potential of the materials including polymeric drug delivery systems that are smartly designed to deliver bioactive(s) into the body at targeted sites without showing side effects. The book is helpful for those in the health sector, specifically those developing nanomedicine using smart material-based nano-delivery systems. Polymers have unique co-operative properties that are not found with low-molecular-weight compounds along with their appealing physical and chemical properties, constituting the root of their success in drug delivery. Smart Polymeric Nano-Constructs in Drug Delivery: Concept, Design and Therapeutic Applications discusses smart and stimuli responsive polymers applicable in drug delivery, followed detailed information about various concepts and designing of polymeric novel drug delivery systems for treatment of various type of diseases, also discussing patents related to the field. The book helps readers to design and develop novel drug delivery systems based on smart materials for the effective delivery of bioactive that take advantage of recent advances in smart polymer-based strategies. It is useful to those in pharmaceutical sciences and related fields in developing new drug delivery systems.

  • Drug Delivery Systems for Metabolic Disorders

    • 1st Edition
    • Harish Dureja + 3 more
    • English
    Drug Delivery Systems for Metabolic Disorders presents the most recent developments on the targeted delivery of drugs to deal with metabolic disorders in a safe, compliant and continuous way. The book covers recent developments in advanced drug delivery systems in various metabolic disorders, including disturbances in protein, lipid, carbohydrate and hormone metabolism and lysosomal and mitochondrial disorders. It provides a brief introduction to metabolic disorders, along with a focus on the current landscape and trends in understanding disease pathology using different in vitro and in vivo models required for clinical applications and developments of new therapeutics. Each subsequent chapter covers drug delivery systems dedicated to metabolic diseases caused by disturbances in protein, lipid, carbohydrate and hormone metabolism. Then, it moves on to cover lysosomal storage disorders and applications of phytopharmaceuticals in this context. This is the perfect reference for researchers in pharmaceutical science who are interested in developing new treatments for metabolic diseases.

  • A Pharmacology Primer

    Techniques for More Effective and Strategic Drug Discovery
    • 6th Edition
    • Terry P. Kenakin
    • English
    A Pharmacology Primer: Techniques for More Effective and Strategic Drug Discovery, Sixth Edition features the latest research surrounding the application of pharmacology in drug discovery in an effort to equip readers with a deeper understanding of complex and rapid changes in this field. Written by well-respected pharmacologist, Terry P. Kenakin, this primer is an indispensable resource for anyone involved in drug discovery. This edition has been reorganized for better flow and clarity and includes material on new technologies for screening (virtual, DNA encoded libraires, fragment-based) and a major section on phenotypic (target agnostic) screening for new leads and determination of drug targets. With full color illustrations as well as new examples throughout, this book remains a top reference for all industry and academic scientists and students directly involved in drug discovery or pharmacologic research. New material includes a discussion of the determination of target engagement, including numerous new ways to demonstrate the physical interaction of molecules with drug targets and new drug candidates such a mRNA, gene therapy, antibodies and information on CRISPR and genomics.

  • Coronavirus Drug Discovery

    Volume 3: Druggable Targets and In Silico Update
    • 1st Edition
    • Chukwuebuka Egbuna
    • English
    Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of this volume describe the various druggable targets and associated signaling pathways for effective targeting of SARS-CoV-2. In Part Two, chapters discuss the various computational approaches and in silico studies against SARS-CoV-2. Written by global team of experts, this book is an excellent resource that will be extremely useful to drug developers, medicinal chemists, pharmaceutical companies in R&D, research institutes in both academia and industry, and the National Library of Medicines and Health. In addition, agencies such as the National Institutes of Health, Centers for Disease Control and Prevention, World Health Organization, European Medicines Agency, the US Food and Drug Administration, and all others involved in drug discovery against COVID-19 will find this book useful.

  • Combination Drug Delivery Approach as an Effective Therapy for Various Diseases

    • 1st Edition
    • Prashant Kesharwani
    • English
    Combination Drug Delivery Approach as an Effective Therapy for Various Diseases explores the use of bioengineering tools in combination drug delivery approaches to control various diseases at different clinical stages of synergistic action, varying mechanisms of action, and during the suppression of drug resistance. The book presents fundamental knowledge on the experiential and experimental aspects of drug combination approaches in order to equip rational applications in preventing the emergence of resistance during the treatment of various diseases. It provides a holistic understanding of the principles behind formation, characterization, applications, regulations, toxicity, challenges and future perspectives of combination drug delivery approaches. It will be of interest to researchers and advanced graduate students in pharmaceutical science, chemistry, biology and medicine, as well as pharmaceutical companies and scientific organizations.

  • Nanotherapeutics in Cancer Vaccination and Challenges

    • 1st Edition
    • Mahfoozur Rahman + 4 more
    • English
    Nanotherapeutics in Cancer Vaccination and Challenges consolidates the current research on cancer nanomedicine and therapeutic cancer vaccination to explore the most effective and promising avenues. The book covers cancer vaccines before exploring nanotherapeutics, DNA and mRNA vaccines in cancer treatment. Finally, it considers regulatory and industrial perspectives on cancer vaccination and nanotherapeutics. This resource will be useful for pharmaceutical scientists and researchers focused on biomedical engineering, chemical engineering, vaccine development, and cancer immunotherapy, along with advanced students in these subjects. Cancer is arguably the most complex and challenging disease known to mankind. Over the last two-decades, significant advancements have been made in new and novel concepts of cancer nanomedicines. Therapeutic cancer vaccines may be utilized to inhibit further growth of advanced cancers and/or relapsed tumors that are refractory to conventional therapies, such as surgery, radiation therapy and chemotherapy.

  • Systemic Drug Delivery Strategies

    Volume 2 of Delivery Strategies and Engineering Technologies in Cancer Immunotherapy
    • 1st Edition
    • Mansoor M. Amiji + 1 more
    • English
    Systemic Drug Delivery Strategies: Delivery Strategies and Engineering Technologies in Cancer Immunotherapy, Volume 2 examines the challenges of delivering immuno-oncology therapies, focusing specifically on the multiple technologies of affective drug delivery strategies. Immuno-oncology (IO) is a growing field of medicine at the interface of immunology and cancer biology leading to development of novel therapeutic approaches, such as chimeric antigen receptor T-cell (CAR-T) and immune checkpoint blockade antibodies, that are clinically approved approaches for cancer therapy. Although currently approved IO approaches have shown tremendous promise for select types of cancers, broad application of IO strategies could even further improve the clinical success, especially for diseases such as pancreatic cancer, brain tumors where the success of IO so far has been limited. This volume of Delivery Strategies and Engineering Technologies in Cancer Immunotherapy discusses methods of targeting tumors, CRISPR technology, and vaccine delivery among many other delivery strategies. Systemic Drug Delivery Strategies: Delivery Strategies and Engineering Technologies in Cancer Immunotherapy, Volume 2 creates a comprehensive treaty that engages the scientific and medical community who are involved in the challenges of immunology, cancer biology, and therapeutics with possible solutions from the nanotechnology and drug delivery side.

  • Nano-Pharmacokinetics and Theranostics

    Advancing Cancer Therapy
    • 1st Edition
    • Nanasaheb D. Thorat + 1 more
    • English
    Nano-Pharmacokinetic... and Theranostics: Advancing Cancer Therapy addresses from a comprehensive and multidisciplinary approach the translational aspects and clinical perspectives of nano-pharmacokinetic... using cancer as a model disease. Nano-pharmacokinetic... is emerging as an important sub discipline of nanoscience and medical sciences because of the increasing safety issues of nanosystems on living organisms. This book reports the dynamics of nanosystems in living organisms for better understanding of nanotoxicity, pharmacology, biochemistry, physiology and medicine perspectives. It further examines current progress of state-of-the art pharmacokinetics mechanisms, which will be of great help to develop more clinical-oriented nanosystems with a wide safety margin. The book is divided into three sections: the first section focuses on the concept of pharmacokinetics with state-of-the-art Nano-Pharmacokinetic... (NPK). The second section looks at the engineering of nanoparticles and pharmacokinetics clinical development. The final section focuses on Nano-Pharmacokinetic... and Theranostics, elaborating the basic question of how pharmacokinetics of nanomaterials relate to their end applications such as cancer therapy. Nano-Pharmacokinetic... and Theranostics: Advancing Cancer Therapy will be useful to researchers in the field of nanoparticle based targeted drug delivery including pharmaceutical scientists, material scientists, chemists, nanotechnologists, biomedical scientists, and clinicians.

  • Dendrimer-Based Nanotherapeutics

    • 1st Edition
    • Prashant Kesharwani
    • English
    Dendrimer-Based Nanotherapeutics delivers a comprehensive resource on the use of dendrimer-based drug delivery. Advances in the application of nanotechnology in medicine have given rise to multifunctional smart nanocarriers that can be engineered with tunable physicochemical characteristics to deliver one or more therapeutic agent(s) safely and selectively to cancer cells, including intracellular organelle-specific targeting. This book compiles the contribution of dendrimers in the field of nanotechnology to aid researchers in exploring dendrimers in the field of drug delivery and related applications. This book covers the history of the area to the most recent research. The starting chapter covers detailed information about basic properties about dendrimers i.e. properties, nomenclature, synthesis methods, types, characterization of dendrimers, safety and toxicity issues of dendrimers. Further chapters discuss the most recent advancements in the field of dendrimer i.e. dendrimer-drug conjugates, PEGylated dendrimer, dendrimer surface engineering, dendrimer hybrids, dendrimers as solubility enhancement, in targeting and delivery of drugs, as photodynamic therapy, in tissue engineering, as imaging contrast agents, as antimicrobial agents, advances in targeted dendrimers for cancer therapy and future considerations of dendrimers. Dendrimer-Based Nanotherapeutics will help the readers to understand the most recent progress in the field of dendrimer-based research, suitable for pharmaceutical scientists, advanced students, and those working in related healthcare fields.

  • The Design and Development of Novel Drugs and Vaccines

    Principles and Protocols
    • 1st Edition
    • Tarun Kumar Bhatt + 1 more
    • English
    The Design and Development of Novel Drugs and Vaccines: Principles and Protocols presents both in silico methods and experimental protocols for vaccine and drug design and development, critically reviewing the most current research and emphasizing approaches and technologies that accelerate and lower the cost of product development. Sections review the technologies and approaches used to identify, characterize and establish a protein as a new drug and vaccine target, cover several molecular methods for in vitro studies of the desired target, and present various physiological parameters for in vivo studies. The book includes preclinical trials and research, along with information on FDA approval.

  • An Industrial IoT Approach for Pharmaceutical Industry Growth

    Volume 2
    • 1st Edition
    • Valentina Emilia Balas + 2 more
    • English
    An Industrial IoT Approach for Pharmaceutical Industry Growth, Volume Two uses an innovative approach to explore how the Internet of Things (IoT) and big data can improve approaches and make discoveries. Rapid growth of the IoT has encouraged many companies in the manufacturing sector to make use of this technology to unlock its potential. Using clear language and real-world case studies, this book discusses systems level from both a human-factors point-of-view and the perspective of networking, databases, privacy and anti-spoofing. The wide variety in topics presented offers multiple perspectives on how to integrate the Internet of Things into pharmaceutical manufacturing.This book represents a useful resource for researchers in pharmaceutical sciences, information and communication technologies, and those who specialize in healthcare and pharmacovigilance.

  • Cancer-Leading Proteases

    Structures, Functions, and Inhibition
    • 1st Edition
    • Satya Prakash Gupta
    • English
    Cancer-Leading Proteases: Structures, Functions, and Inhibition presents a detailed discussion on the role of proteases as drug targets and how they have been utilized to develop anticancer drugs. Proteases possess outstanding diversity in their functions. Because of their unique properties, proteases are a major focus of attention for the pharmaceutical industry as potential drug targets or as diagnostic and prognostic biomarkers. This book covers the structure and functions of proteases and the chemical and biological rationale of drug design relating to how these proteases can be exploited to find useful chemotherapeutics to fight cancers. In addition, the book encompasses the experimental and theoretical aspects of anticancer drug design based on proteases. It is a useful resource for pharmaceutical scientists, medicinal chemists, biochemists, microbiologists, and cancer researchers working on proteases.

  • Emergence of Pharmaceutical Industry Growth with Industrial IoT Approach

    • 1st Edition
    • Valentina Emilia Balas + 2 more
    • English
    Emergence of Pharmaceutical Industry Growth with Industrial IoT Approach uses an innovative approach to explore how the Internet of Things (IoT) and big data can improve approaches, create efficiencies and make discoveries. Rapid growth of the IoT has encouraged many companies in the manufacturing sector to make use of this technology to unlock its potential. Pharmaceutical manufacturing companies are no exception to this, as IoT has the potential to revolutionize aspects of the pharmaceutical manufacturing process, from drug discovery to manufacturing. Using clear, concise language and real world case studies, this book discusses systems level from both a human-factors point-of-view and the perspective of networking, databases, privacy and anti-spoofing. The wide variety of topics presented offers readers multiple perspectives on a how to integrate the Internet of Things into pharmaceutical manufacturing.

  • In Silico Drug Design

    Repurposing Techniques and Methodologies
    • 1st Edition
    • Kunal Roy
    • English
    In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design.

  • Basic Fundamentals of Drug Delivery

    • 1st Edition
    • English
    Basic Fundamentals of Drug Delivery covers the fundamental principles, advanced methodologies and technologies employed by pharmaceutical scientists, researchers and pharmaceutical industries to transform a drug candidate or new chemical entity into a final administrable drug delivery system. The book also covers various approaches involved in optimizing the therapeutic performance of a biomolecule while designing its appropriate advanced formulation.

  • A Pharmacology Primer

    Techniques for More Effective and Strategic Drug Discovery
    • 5th Edition
    • Terry P. Kenakin
    • English
    A Pharmacology Primer: Techniques for More Effective and Strategic Drug Discovery, Fifth Edition features the latest ideas and research regarding the application of pharmacology to the process of drug discovery. Written by well-respected pharmacologist, Terry P. Kenakin, this primer is an indispensable resource for all those involved in drug discovery. This updated edition has been thoroughly revised to include material on quantifying drug efficacy through bias and cluster analysis, the impact of molecular dynamics and protein structural analysis, the real time kinetic analysis of drug effect, virtual screening for new drug chemical scaffolds, and much more. With full color illustrations and new examples throughout, this book remains a top reference for all industry and academic scientists that is also ideal for students directly involved in drug discovery or pharmacologic research.

  • Microsized and Nanosized Carriers for Nonsteroidal Anti-Inflammatory Drugs

    Formulation Challenges and Potential Benefits
    • 1st Edition
    • Bojan Čalija
    • English
    Microsized and Nanosized Carriers for Nonsteroidal Anti-Inflammatory Drugs: Formulation Challenges and Potential Benefits provides a unique and complete overview of novel formulation strategies for improvement of the delivery of NSAIDs via encapsulation in microsized and nanosized carriers composed of different materials of natural and synthetic origin. This book presents the latest research on advances and limitations of both microsized and nanosized drug carriers and NSAIDs before discussing the formulation aspects of these drug carriers that are intended for oral, dermal, and transdermal administration of NSAIDs. In addition, functionality of these materials as potential excipients for microsized and nanosized carriers is discussed and debated. Practical solutions for improving effectiveness of these drugs are included throughout the book, making this an important resource for graduate students, professors, and researchers in the pharmaceutical sciences.

  • How to Develop Robust Solid Oral Dosage Forms

    From Conception to Post-Approval
    • 1st Edition
    • Bhavishya Mittal
    • English
    How to Develop Robust Solid Oral Dosage Forms from Conception to Post-Approval uses a practical and hands-on approach to cover the development process of solid oral dosage forms in one single source. The book details all of the necessary steps from formulation through the post-approval phase and contains industry case studies, real world advice, and troubleshooting tips. By merging the latest scientific information with practical instructions, this book provides pharmaceutical scientists in formulation research and development with a concrete look at the key aspects in the development of solid oral dosage forms.

  • Preserving the Promise

    Improving the Culture of Biotech Investment
    • 1st Edition
    • Scott Dessain + 1 more
    • English
    Preserving the Promise: Improving the Culture of Biotech Investment critically examines why most biotech startups fail, as they emerge from universities into an ecosystem that inhibits rather than encourages innovation. This "Valley of Death" squanders our public investments in medical research and with them, the promise of longer and healthier lives. The authors explicate the Translation Gap faced by early stage biotech companies, the result of problematic technology transfer and investment practices, and provide specific prescriptions for improving translation of important discoveries into safe and effective therapies. In Preserving the Promise, Dessain and Fishman build on their collective experience as company founders, healthcare investor (Fishman) and physician/scientist (Dessain). The book offers a forward-looking, critical analysis of "conventional wisdom" that encumbers commercialization practices. It exposes the self-defeating habits of drug development in the Valley of Death, that waste money and extinguish innovative technologies through distorted financial incentives.

  • Profiles of Drug Substances, Excipients and Related Methodology

    • 1st Edition
    • Volume 41
    • English
    Volumes in this widely revered series present comprehensive reviews of drug substances and additional materials, with critical review chapters that summarize information related to the characterization of drug substances and excipients. This organizational structure meets the needs of the pharmaceutical community and allows for the development of a timely vehicle for publishing review materials on this topic. The scope of the Profiles series encompasses review articles and database compilations that fall within one of the following six broad categories: Physical profiles of drug substances and excipients; Analytical profiles of drug substances and excipients; Drug metabolism and pharmacokinetic profiles of drug substances and excipients; Methodology related to the characterization of drug substances and excipients; Methods of chemical synthesis; and Reviews of the uses and applications for individual drug substances, classes of drug substances, or excipients.

  • Drug-Like Properties

    Concepts, Structure Design and Methods from ADME to Toxicity Optimization
    • 2nd Edition
    • Li Di + 1 more
    • English
    Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property. Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization.

  • Essential Chemistry for Formulators of Semisolid and Liquid Dosages

    • 1st Edition
    • Vitthal S. Kulkarni + 1 more
    • English
    A needed resource for pharmaceutical scientists and cosmetic chemists, Essential Chemistry for Formulators of Semisolid and Liquid Dosages provides insight into the basic chemistry of mixing different phases and test methods for the stability study of nonsolid formulations. The book covers foundational surface/colloid chemistry, which forms the necessary background for making emulsions, suspensions, solutions, and nano drug delivery systems, and the chemistry of mixing, which is critical for further formulation of drug delivery systems into semisolid (gels, creams, lotions, and ointments) or liquid final dosages. Expanding on these foundational principles, this useful guide explores stability testing methods, such as particle size, rheological/viscosit... microscopy, and chemical, and closes with a valuable discussion of regulatory issues. Essential Chemistry for Formulators of Semisolid and Liquid Dosages offers scientists and students the foundation and practical guidance to make and analyze semisolid and liquid formulations.

  • Artificial Neural Network for Drug Design, Delivery and Disposition

    • 1st Edition
    • Munish Puri + 4 more
    • English
    Artificial Neural Network for Drug Design, Delivery and Disposition provides an in-depth look at the use of artificial neural networks (ANN) in pharmaceutical research. With its ability to learn and self-correct in a highly complex environment, this predictive tool has tremendous potential to help researchers more effectively design, develop, and deliver successful drugs. This book illustrates how to use ANN methodologies and models with the intent to treat diseases like breast cancer, cardiac disease, and more. It contains the latest cutting-edge research, an analysis of the benefits of ANN, and relevant industry examples. As such, this book is an essential resource for academic and industry researchers across the pharmaceutical and biomedical sciences.

  • A Practical Guide to Rational Drug Design

    • 1st Edition
    • Sun Hongmao
    • English
    This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors’ active compounds or from natural ligands of the targets; how to springboard from competitors’ SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes.

  • Prodrug Design

    Perspectives, Approaches and Applications in Medicinal Chemistry
    • 1st Edition
    • Vivekkumar K Redasani + 1 more
    • English
    Prodrug Design: Perspectives, Approaches and Applications in Medicinal Chemistry provides a focused overview of this critical area of drug discovery, as that continuous process strives not only to discover new drug compounds but also to modify the existing ones. This valuable primer supports this mission of drug development and its goal of reducing undesired effects and improving therapeutic effectiveness of drug compounds. Providing a unique compilation of data, insightful case studies, and review of existing literature in the area, the book will promote innovation in medicinal and pharmaceutical chemistry research, exploring the limitations of existing drugs and their improvement. Prodrug Design reviews marketed compounds, the safety of promoieties, and a detailed classification of prodrugs organized by therapeutic area for easy reference.

  • Drug Design and Discovery in Alzheimer’s Disease

    • 1st Edition
    • Atta-ur Rahman + 1 more
    • English
    Drug Design and Discovery in Alzheimer’s Disease includes expert reviews of recent developments in Alzheimer's disease (AD) and neurodegenerative disease research. Originally published by Bentham as Frontiers in Drug Design and Discovery, Volume 6and now distributed by Elsevier, this compilation of the sixteen articles, written by leading global researchers, focuses on key developments in the understanding of the disease at molecular levels, identification and validation of molecular targets, as well as innovative approaches towards drug discovery, development, and delivery. Beginning with an overview of AD pharmacotherapy and existing blockbuster drugs, the reviews cover the potential of both natural and synthetic small molecules; the role of cholinesterases in the on-set and progression of AD and their inhibition; the role of beta-site APP clearing enzyme-1 (BACE-1) in the production of β-amyloid proteins, one of the key reasons of the progression of AD; and other targets identified for AD drug discovery.

  • Basic Principles of Drug Discovery and Development

    • 1st Edition
    • Benjamin E. Blass
    • English
    Basic Principles of Drug Discovery and Development presents the multifaceted process of identifying a new drug in the modern era, providing comprehensive explanations of enabling technologies such as high throughput screening, structure based drug design, molecular modeling, pharmaceutical profiling, and translational medicine, all areas that have become critical steps in the successful development of marketable therapeutics. The text introduces the fundamental principles of drug discovery and development, also discussing important drug targets by class, in vitro screening methods, medicinal chemistry strategies in drug design, principles in pharmacokinetics and pharmacodynamics, animal models of disease states, clinical trial basics, and selected business aspects of the drug discovery process. It is designed to enable new scientists to rapidly understand the key fundamentals of drug discovery, including pharmacokinetics, toxicology, and intellectual property."

  • Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

    • 1st Edition
    • Kunal Roy + 2 more
    • English
    Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods.

  • Novel Approaches and Strategies for Biologics, Vaccines and Cancer Therapies

    • 1st Edition
    • Manmohan Singh + 1 more
    • English
    Novel Approaches and Strategies for Biologics, Vaccines and Cancer Therapies takes a look at the current strategies, successes and challenges involved with the development of novel formulations of biologics, vaccines and cancer therapy. This thorough reference on the latest trends in the development of diverse modalities will appeal to a broad community of scientists, students and clinicians. Written by leading authors across academia and industry, this book covers important topics such as unique drug delivery devices, non-parenteral delivery trends, novel approaches to the treatment of cancer, immunotherapy and more. It includes real-world cases and examples which highlight formulations with therapeutic proteins, monoclonal antibodies, peptides and biobetters, as well as cases on novel vaccines formulations including evolving pathogens, novel modalities of vaccines, universal vaccines. This book is a thorough and useful resource on the development of novel biologics, vaccines and cancer therapies.

  • Design and Manufacture of Pharmaceutical Tablets

    • 1st Edition
    • Reynir Eyjolfsson
    • English
    Design and Manufacture of Pharmaceutical Tablets offers real world solutions and outcomes of formulation and processing challenges of pharmaceutical tablets. This book includes numerous practical examples related to actual formulations that have been validated and marketed and covers important data in the areas of stability, dissolution, bioavailibity and processing. It provides important background and theoretical information on design and manufacturing and includes a full section dedicated to design experimental methodology and statistics. In addition, this book offers a a general discussion of excipients used in proper tablet design along with practical examples related to excipients. Drug development scientists in industry and academia, as well as students in the pharmaceutical sciences will greatly benefit from the practical knowledge and case examples provided throughout this book.

  • Orphan Drugs

    Understanding the Rare Disease Market and its Dynamics
    • 1st Edition
    • Elizabeth Hernberg-Ståhl + 1 more
    • English
    This authoritative and comprehensive book makes the reader familiar with the processes of bringing orphan drugs to the global market. There are between 5,000 and 7,000 rare diseases and the number of patients suffering from them is estimated to be more than 50 million in the US and Europe. Before the orphan drug legislation enacted in the US in 1983, there was a limited interest from industry to develop treatment for very small patient groups. One of the difficulties is, of course, that similar levels of investment are needed from a pharmaceutical company to bring a drug to the market for both small and large patient groups.The journey from application of an orphan drug designation to a reimbursed market- approved drug is long and many obstacles occur during the journey.After reading the book, readers will: Understand who the players/stakeholders are in the rare orphan disease field and their specific needs and concerns: patients and patient organizations, researchers and treating physicians within the field, industry, regulatory and reimbursement bodies* Understand the strong partnership between the different players and the various initiatives to improve and increase access to treatment for patients; minimizing the gap between numbers of known diseases, orphan designations, approved drugs and paid drugs.The book also provides short practical case stories from patients and researchers, as well as representatives from industry and authorities on the challenges they came across in developing orphan drugs or getting access to orphan drugs.

  • Drug Design

    Medicinal Chemistry: A Series of Monographs, Vol. 4
    • 1st Edition
    • E. J. Ariëns
    • English
    Drug Design, Volume IV covers the pharmaceutical phase of drug action, with emphasis on those aspects that are of importance in the design of optimally effective drug products. The book discusses biopharmaceutics as a basis for the design of drug products; the types and pharmacokinetics of peroral prolonged action dosage forms and parenteral prolonged action forms; and the design of topical drug products. The text also describes physical-chemical parameters which affect the bioavailability of topical drug products; the design of sunscreen preparations; as well as the clinical application of litholytic agents, which are preventive and curative drugs for nephrolithiasis. The design of biologically active nucleosides and of insecticidal chlorohydrocarbon derivatives is also encompassed. Chemists, biochemists, pharmacologists, and people involved in drug design will find the book invaluable.

  • Cancer Drug Design and Discovery

    • 2nd Edition
    • Stephen Neidle
    • English
    Cancer Drug Design and Discovery, Second Edition is an important reference on the underlying principles for the design and subsequent development of new anticancer small molecule agents. New chapters have been added to this edition on areas of particular interest and therapeutic promise, including cancer genomics and personalized medicine, DNA-targeted agents and more. This book includes several sections on the basic and applied science of cancer drug discovery and features those drugs that are now approved for human use and are in the marketplace, as well as those that are still under development. By highlighting some of the general principles involved in taking molecules through basic science to clinical development, this book offers a complete and authoritative reference on the design and discovery of anticancer drugs for translational scientists and clinicians involved in cancer research.

  • Advances in Antiviral Drug Design

    • 1st Edition
    • Volume 5
    • E. De Clercq
    • English
    Regularly reviewing the "state-of-the-art" developments in the antiviral drug research field, this latest volume spans the conceptual design and chemical synthesis of new antiviral compounds. It discusses their structure-activity relationship, mechanism and targets of action, pharmacological behavior, antiviral activity spectrum, and therapeutic potential for clinical use.

  • Synthesis of Essential Drugs

    • 1st Edition
    • Ruben Vardanyan + 1 more
    • English
    Synthesis of Essential Drugs describes methods of synthesis, activity and implementation of diversity of all drug types and classes. With over 2300 references, mainly patent, for the methods of synthesis for over 700 drugs, along with the most widespread synonyms for these drugs, this book fills the gap that exists in the literature of drug synthesis. It provides the kind of information that will be of interest to those who work, or plan to begin work, in the areas of biologically active compounds and the synthesis of medicinal drugs. This book presents the synthesis of various groups of drugs in an order similar to that traditionally presented in a pharmacology curriculum. This was done with a very specific goal in mind – to harmonize the chemical aspects with the pharmacology curriculum in a manner useful to chemists. Practically every chapter begins with an accepted brief definition and description of a particular group of drugs, proposes their classification, and briefly explains the present model of their action. This is followed by a detailed discussion of methods for their synthesis. Of the thousands of drugs existing on the pharmaceutical market, the book mainly covers generic drugs that are included in the WHO’s Essential List of Drugs. For practically all of the 700+ drugs described in the book, references (around 2350) to the methods of their synthesis are given along with the most widespread synonyms. Synthesis of Essential Drugs is an excellent handbook for chemists, biochemists, medicinal chemists, pharmacists, pharmacologists, scientists, professionals, students, university libraries, researchers, medical doctors and students, and professionals working in medicinal chemistry.

  • Advances in Antiviral Drug Design

    • 1st Edition
    • Volume 4
    • E. De Clercq
    • English
    The fourth volume of Advances in Antiviral Drug Design is keeping up with the recent progress made in the broad field of antiviral drug research and encompasses six specific directions that have opened new avenues for the treatment of HIV and other virus infections.First, as the introductory chapter, the different new anti-HIV agents that are now in preclinical or clinical development are reviewed by E. De Clercq. This includes new NRTIs, NNRTIs and PIs, but also HIV entry/fusion inhibitors as well as integrase inhibitors, and some of these agents, such as the NRTI emtricitabine [(-)FTC] and the PI atazanavir, may soon be licensed for clinical use.Second, high expectations are vested in the potential therapeutic usefulness of inhibitors of HIV integration, a point of no return in the life cycle of HIV, and this approach is highlighted by D.J. Hazuda and S.D. Young.Third, as all currently available PIs can be described as "peptidomimetic", and, therefore, expected to demonstrate overlapping virus-drug resistance and side effect profiles, it would be interesting to see how a non-peptidic protease inhibitor such as tipranavir behaves, and this is covered by D. Mayers, K. Curry, V. Kohlbrenner and S. McCallister.Fourth, neuraminidase inhibitors such as zanamivir (that has to be inhaled) and oseltamivir (that can be administered via the oral route) have gained a definitive status as antiviral drugs useful for both therapy and prophylaxis of influenza A and B virus infections; as they target a specific influenza viral enzyme, neuraminidase (or sialidase), they may be expected to block newly emerging influenza viruses as well, and the design of neuraminidase inhibitors has received due attention of H. Jin and C.U. Kim.Fifth, while the major current efforts in antiviral drug development have shifted from herpesviruses towards HIV and hepatitis viruses [hepatitis B virus (HBV), hepatitis C virus (HCV)], it is interesting to note that by switching from the classical five-membered sugar or acyclic nucleoside strategy, J. Wang, M. Froeyen and P. Herdewijn have gone "upstream" in designing six-membered carbocyclic nucleosides as potential anti-herpesvirus agents.Sixth, following up on the nucleotide prodrug strategy introduced above under ix, to deliver the biologically active nucleotides inside the cells, C. Meier has elaborated on a particular class of such pronucleotides, namely that of the cyclosaligenyl pronucleotides, an approach that should have far reaching implications for compounds effective against HIV, HBV and other viruses.The six topics covered in this fourth volume of Advances in Antiviral Drug Design are in the front line of the present endeavors towards the design and development of new therapeutic agents for virus infections. They pertain to the combat against three of the most important viral pathogens of current times: HIV, HBV, influenza virus and herpesviruses.

  • Advances in Antiviral Drug Design

    • 1st Edition
    • Volume 3
    • E. De Clercq
    • English
    Volume 3 of Advances in Antiviral Drug Design is keeping up with the recent progress made in the field of antiviral drug research and highlights five specific directions that have opened new avenues for the treatment of virus infections. First, the use of lamivudine (3TC) for the treatment of HIV infections, and its more recent introduction for the treatment of hepatitis B virus (HBV) infections, has heralded the transition of D- to L-nucleosides in the antiviral nucleoside drug design, and it is likely that the future will provide more nucleosides of the L-configuration, such as (-)FFC (emtricitabine) and L-FMAU, as will be described by J.-C.G. Graciet and R.F. Shinazi. Second, the acyclic purine nucleoside phosphonates, i.e. PMEA (adefovir and PMPA (tenofovir), offer great potential as both anti-HIV and anti-HBV agents, and both compounds have been the subject of advanced clinical trials in their oral produrg form (adefovir dipivoxil and tenofovir disoproxyl), as mentioned by M.N. Arimilli, J.P. Dougherty, K.C. Cundy, and N. Bischofberger.Third, with the advent of nevirapine, delavirdine, and efavirenz, the NNRTIs have definitely come of age. Emivirine (MKC-442), a derivative of the original HEPT analog that was described in 1989 has now proceeded through pivotal clinical studies, and how this class of compounds evolved is presented in the account of H. Tanaka and his colleagues. Fourth, at the end of 1999, anticipating on the next winter influenza offensive, we should have at end two compounds that specifically inhibit influenza A and B virus infections: zanamivir (by the intranasal route) and oseltamivir (by the oral route). Both compounds have proved effective in the prophylaxis and treatment of influenza A and B virus infections and act through the same mechanism; that is by blocking the viral neuraminidase (or sialidase), a key enzyme that allows the virus to spread from one cell to another (within the respiratory mucosal tract). The design of these sialidase inhibitors will be presented by M. von Itzstein and J.C. Dyason.Fifth, the discovery (in 1996) of the chemokine receptors CXCR4 and CCR5 as essential coreceptors (in addition to the CD4 receptor) for HIV entry into the cells, has boosted an enormous interest in potential antagonists of these receptors. The bicyclams represent the first low-molecular-weight compounds targeted at CXCR4, the coreceptor used by the more pathogenic, T-lymphotropic, HIV strains, to enter the cells. They will be addressed by G.J. Bridger and R.T. Skerlj.The five topics covered in this third volume of Advances in Antiviral Drug Design are in the front line of the present endeavors towards the chemotherapy of virus infections. They pertain to the combat against three of the most important virus infections of current times: HIV, HBV, and influenza virus.

  • Advances in Medicinal Chemistry

    • 1st Edition
    • Volume 4
    • B.E. Maryanoff + 1 more
    • English
    Volume 4 of Advances in Medicinal Chemistry is comprised of six chapters on a wide range of topics in medicinal chemistry, including molecular modeling, structure-based drug design, organic synthesis, peptide conformational analysis, biological assessment, structure-activity correlation, and lead optimization. Chapter 1 presents an account about amino acid-based peptide mimetics corresponding to b-turn, loop, helical motifs in proteins as a probe of ligand-receptor and ligand-enzyme molecular interactions. Chapter 2 addresses new facets of the medicinal chemistry of the important anticancer drug Taxol® (paclitaxel). Chapter 3 relates an account of the search for new drugs for the treatment of malaria based on the natural product artemisinin. Chapter 4 applies computational chemistry to the evaluation of compound libraries for biological testing. Chapter 5 describes the construction of a 3-dimensional molecular model of the human thrombin receptor, the first protease-activated G-protein coupled receptor (PAR-1), as a means to explore the intermolecular contacts involved in agonist peptide recognition. Finally, Chapter 6 describes the research conducted at Merck on inhibitors of farnesyl transferase as a potential treatment for human cancers.

  • Advances in Antiviral Drug Design

    • 1st Edition
    • Volume 2
    • E. De Clercq
    • English
    The purpose of the series on Advances in Antiviral Drug Design is to regularly review the "state of the art" on emerging new developments in the antiviral drug research field, thereby spanning the conceptual design and chemical synthesis of new antiviral compounds, their structure-activity relationship, mechanism and target(s) of action, pharmacological behavior, antiviral activity spectrum, and therapeutic potential for clinical use. Volume 2 begins with a description of the antiviral potential of antisense oligonucleotides by J. Temsamani and S. Agrawal. According to the aims of the anitsense technology, these oligonucleotides should be targeted at specific viral antisense technology, these oligonucleotides should be targeted at specific viral mRNA sequences so that translation to the virus-specified proteins is blocked; this has been achieved for a number of oligomers, some of which are now in clinical trials for the treatment of HIV, HCMV, and human papilloma virus (HPV) infections. Then C.-S. Yuan, S. Liu, S.F. Wnuk, M.J. Robins and R.T. Borchardt assess the role of S-adenosylhornocyste... (AdoHcy) hydrolase as target for the design of antiviral agents with broad-spectrum antiviral activity. This is followed by an in-depth account on the design and synthesis of a number of first-, second- and third-generation AdoHcy hydrolase inhibitors and their mode of action at the enzyme level.V.E. Marquez provides a comprehensive description of the various carbocyclic (carba) nucleosides that have been synthesized and evaluated for antiviral activity. Although the number and diversity of the carba-nucleosides that have been found to be antivirally active (or inactive) is astonishingly high, there is no limit to further expansion of this fascinating class of molecules. For the various nucleoside analogues that have to be intracellularly phosphorylated to the 5'-triphosphate stage, to interact with their target enzyme (i.e., herpesviral DNA polymerase or retroviral revers transcriptase) the first phosphorylation step is often the rate-limiting step, and thus various strategies are envisaged by C. Perigoud, J.-L. Girardet, G. Gosselin and J.-L. Bach on how to bypass this initial phosphorylation and to deliver the nucleoside 5'-monophophate directly inside the cells.The HIV protease has been considered as a paradigm for rational drug design. The enzyme is among the best understood in terms of both structure and action, and because of its crucial role in the maturation of HIV, it has been vigorously pursued as a target for anti-HIV chemotherapy. In their comprehensive review of the multidisciplinary approach towards the development of HIV protease inhibitors A.G. Tomasselli, S. Thaisrivongs and R.L. Heinrikson highlight those protease inhibitors which have been brought forward to clinical trials.