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Books in Drug discovery

  • Drug Discovery

    Traditional Approaches and Advanced Strategies
    • 1st Edition
    • October 1, 2026
    • Renren Bai
    • English
    Drug Discovery: Traditional Approaches and Advanced Strategies is a foundational monograph that connects established methodologies, cutting-edge technologies, and the transformative impact of AI and other emerging tools in the drug discovery landscape. Sections provide an overview of drug discovery and development, introducing current trends and the evolving landscape of the field, explore traditional approaches alongside advanced strategies, covering topics such as drug target discovery, lead optimization, and the revolutionary role of artificial intelligence in drug discovery, and investigate promising emerging technologies, including targeted protein degradation and innovative design strategies. Equipping readers with insights into the future of drug development, this is a vital resource for academic and industrial researchers, students, and professionals seeking to stay at the forefront of drug discovery. By integrating traditional methodologies with the latest advancements, this book not only enhances understanding but also inspires innovation. With practical case studies and real-world applications, it empowers researchers to effectively implement new technologies, ultimately improving the efficiency and success rates of their R&D endeavors.

  • The Renaissance in GPCR Research and Drug Discovery

    Receptor Function, Receptor Structure, New Techniques, and Characterization of Drug Activity
    • 1st Edition
    • September 1, 2026
    • Terry P. Kenakin
    • English
    The Renaissance in GPCR Research and Drug Discovery: Receptor Function, Receptor Structure, New Techniques, Characterization of Drug Activity, Drug Discovery is a comprehensive reference for pharmacology researchers. It focuses on utilizing novel aspects of GPCR function for therapeutic advantage and applying new chemical types to modify GPCR behavior. Recent advancements have revitalized GPCR discovery, opening unexplored avenues for new drug development. The book's content is meticulously divided into five distinct parts, covering evolutionary perspectives, novel functions, investigative technologies, therapeutic modalities, and a broad range of GPCR ligands.Beyond these key topics, the book delves into the evolution of GPCRs as drug targets, the mechanisms behind their novel functions, and the latest technologies driving research and discovery. It also highlights new and recently approved therapeutic modalities and provides a broad coverage of GPCR ligands. Edited and authored by leading researchers, this book serves as an essential reference for drug discovery researchers and medicinal chemists, as well as AI researchers exploring this drug discovery space.

  • Kinase Targets and Drug Discovery

    • 1st Edition
    • June 1, 2026
    • Xiaoyun Lu
    • English
    Kinase Targets and Drug Discovery covers the critical role of kinases as regulators of cellular functions and their implications in a range of diseases, from cancers to cardiovascular disorders and inflammatory conditions. Readers will explore foundational concepts on the functions of kinases, the role of kinase inhibitors in disease therapy, and challenges faced. The second section focuses on innovative strategies in kinase drug discovery, covering screening and computational approaches, along with the development of covalent, macrocyclic, allosteric inhibitors, and kinase degraders. Final sections examine clinical applications, detailing how kinase inhibition can be harnessed for cancer therapies, non-oncologic diseases, and even non-catalytic functions.This book will serve as an indispensable resource for pharmacologists, medicinal chemists, and researchers in both academia and industry. By bridging the gap between foundational research and clinical application, it equips professionals with the latest insights and practical approaches to advance their understanding to contribute meaningfully to the evolving landscape of drug discovery.

  • Computer-Aided Drug Design in Modern Drug Discovery

    • 1st Edition
    • May 1, 2026
    • Yinuo Wu + 2 more
    • English
    Computer-Aided Drug Design in Modern Drug Discovery offers an in-depth exploration of CADD, featuring real-world case studies and practical examples that empower researchers to effectively harness this technology in drug discovery and development. Exploring the intricacies of CADD, the book comprises several key chapters, beginning with an introduction to its methods and evolution that is followed by a thorough examination of the integration of artificial intelligence in drug design. Subsequent chapters cover various CADD approaches, including ligand-based, structure-based, and fragment-based design, alongside AI-driven compound generation and drug screening.The book also showcases a selection of marketed drugs developed with CADD or AI, such as Captopril, Tirofiban, and Crizotinib, providing invaluable insights into the successes and challenges faced in real-world applications. Finally, the discussion of emerging trends and future directions in CADD and AI highlights the ongoing evolution of these methodologies and their integration with traditional drug development processes.

  • The AI Frontier in Molecular Modelling and Drug Designing

    • 1st Edition
    • May 1, 2026
    • Manish Kumar Gupta + 2 more
    • English
    The AI Frontier in Molecular Modelling and Drug Designing aims to provide a comprehensive guide on the application of AI concepts in drug designing, discovery, and molecular modeling. The book delves into machine and deep learning techniques that predict structural properties of molecules, identify druggable pockets, and assess physicochemical properties of targets. Sections explore current and potential computational resources to tackle complex biological challenges. Each chapter is enriched with relevant examples, text boxes, and case studies that illustrate the practical application of AI techniques, their outcomes, and the challenges faced during implementation.This resource is tailored for researchers, students, and professionals in both academia and industry, providing them with the latest methodologies, advancements in technology, and practical insights into AI-driven drug research, structural biology, computational biology, and translational science.

  • Chalcones

    From Drug Discovery to Pharmaceutical Applications
    • 1st Edition
    • April 1, 2026
    • Simone Carradori + 2 more
    • English
    Chalcones: From Drug Discovery to Pharmaceutical Applications serves as a comprehensive reference on chalcones, detailing their natural occurrence, synthetic methods, and therapeutic applications. The book provides both novice and experienced researchers with the foundational knowledge necessary to advance their work in this area. Sections cover the natural sources of chalcones, various extraction methods, structural characterization techniques, synthesis, and their role in organic chemistry and metal complexes, while also addressing pharmacokinetic properties, toxicity, and the medicinal uses of chalcones, including their effectiveness against viruses, bacteria, cancer, and neurodegenerative diseases. Final sections explore chalcone-containing products, drug formulation strategies, and clinical trials involving chalcone-based drug candidates. This reference is an essential resource for pharmaceutical researchers, providing critical insights into the applications and potential of chalcones in drug development and therapeutic interventions.

  • Antimicrobial Therapeutics and Drug Discovery

    • 1st Edition
    • March 16, 2026
    • Chengyuan Liang + 1 more
    • English
    Antimicrobial Therapeutics and Drug Discovery is a comprehensive resource that provides an overview of antimicrobial drug discovery. It covers a wide spectrum of pathogenic organisms causing human infections, exploring alternative therapeutic strategies beyond traditional small molecule drugs. The contents in the book are structured into four parts, each focusing on a different aspect of antimicrobial drug discovery. From exploring viral and host targets, understanding antibiotic resistance mechanisms, to the potential of nanomedicine and computational approaches, the book offers a comprehensive view of the field. Employing a multidisciplinary approach, chapters discuss the importance of drug discovery for fungi, Mycobacteria, Mycoplasma, and parasites, and offers insights into innovative biomedical approaches and combination therapies. By bridging the gap between experimental research and practical application, Antimicrobial Therapeutics and Drug Discovery is a key reference for pharmacologists and pharmaceutical scientists working in academic and corporate research. Medicinal chemists and microbiologists will also benefit from the multidisciplinary coverage of the book.

  • Natural Product Drug Discovery

    Highly Anticipated Natural Molecules
    • 1st Edition
    • February 1, 2026
    • Ning Li + 1 more
    • English
    Natural Product Drug Discovery: Highly Anticipated Natural Molecules, a new volume in the Drug Discovery Opinion series, provides a comprehensive examination of the role of natural products in innovative drug development. The book addresses the significant challenges that highly active natural molecules face in the drug development process, including issues related to bioavailability and potency. Sections present analyses of various classes of natural products, including polysaccharides, volatile oils, and diterpenoids, exploring their chemical properties, biological activities, and potential clinical applications. Each chapter, written by leading experts, offers insights into structural modification techniques, naturally sourced inhibitors, and the application of green biomanufacturing strategies.It will serve as an essential resource for researchers, pharmacologists, and industry professionals involved in natural product drug discovery. Readers will find the necessary information to navigate the complexities of the field, emphasizing the integration of traditional knowledge with modern scientific approaches. Through a thorough understanding of these natural compounds, this book aims to contribute to the advancement of therapeutic innovations in pharmacotherapy.

  • Medicinal Plants

    Chemistry, Biology and Omics
    • 2nd Edition
    • January 15, 2026
    • Da-Cheng Hao + 1 more
    • English
    Medicinal Plants: Chemistry, Biology, and Omics, Second Edition is a reference to help researchers identify and master the patterns in the distribution of medicinal compounds on the phylogenetic tree to explore new drug resources and develop novel therapies against different diseases. The book provides a deeper understanding of how the interrelationship between phytometabolites, bioactivities and omics techniques facilitates sustainable conservation and application of phytomedicine resources. Now in 2nd edition, the contents have been updated to include topics as machine learning applications, geographic distribution of phytometabolites, comparative analysis of alkaloids, expanded coverage of selected taxa, and conditions like cardiovascular disease and cancer. The book is structured around chemotaxonomy. After an introduction and review of taxonomy, chemistry, biology and omics, the authors dive into a taxon-guided exploration of medicinal resources for Fritillaria, Chelidoniae, Dichocarpum, Aconitum, Cimicifugeae, Clematis, Potentilla, Rubus, Cannabis, and other taxa. All chapters follow a similar and consistent structure, offering detailed information on each of them. Researchers in phytopharmacology can acquire in-depth understanding of the interrelationships between chemistry, biology and omics, as well as the implications of the link between phylogeny, phytometabolites and bioactivities in medical biotechnology and sustainability. Clinicians can better understand the principles of mutual interactions between phytometabolites and drug efficacy.

  • Emerging Trends in Phytotherapy of Cancer

    • 1st Edition
    • December 11, 2025
    • Mahendra Rai + 1 more
    • English
    Emerging Trends in Phytotherapy of Cancer is an essential reference that explores the multifaceted role of medicinal plants in combating cancer. The book covers a broad range of interconnected topics including ethnomedicinal plants used in cancer by tribes and aboriginals, herbs used in Ayurvedic medicine for cancer, integrated approaches of modern and conventional drugs, anti-cancerous secondary metabolites, plant-based anticancer drugs approved by FDA and WHO, toxicity to humans, and the role of emerging technologies such as the applications of nanotechnology and artificial intelligence. The contents are divided into six parts. Part one opens with an introductory chapter, followed by the different combinations of plant-based drugs and modern medicine for cancer treatment, and recent developments in cancer research. Part two discusses the ethnomedicinal uses of plants in cancer and the role of Ayurvedic herbal medicines in cancer. Part three incorporates the role of secondary metabolites in cancer treatment. Part four elaborates on the plant-based drugs recommended by FDA/WHO. Part five concerns the human phytotoxicity of secondary metabolites, and part six describes the role of emerging nanotechnologies and artificial intelligence in phytotherapy drug delivery and treatment. Targeted at researchers, healthcare professionals, and advanced students in related fields, this book provides technical and in-depth knowledge, contributing to ongoing advancements in cancer treatment. It uniquely integrates ethnomedicinal therapies with modern technologies, offering a comprehensive overview of the research into phytomedicinal cancer therapies.