Comprehensive Medicinal Chemistry IV
- 4th Edition - May 1, 2026
- Latest edition
- Editors: David Rotella, Simon Ward
- Language: English
- Hardback ISBN:9 7 8 - 0 - 4 4 3 - 2 9 8 0 8 - 0
- eBook ISBN:9 7 8 - 0 - 4 4 3 - 2 9 8 0 9 - 7
Comprehensive Medicinal Chemistry, Fourth Edition provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recent… Read more
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Comprehensive Medicinal Chemistry, Fourth Edition provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. A list of new areas covered includes: - newer assays, techniques, applications in medicinal chemistry - use of artificial intelligence and machine learning in drug discovery and development (prediction of drug efficacy, toxicity, and ADME properties, identification of new drug targets; design of novel drug candidates) - big data - chemical biology - degradation technologies - Precision medicine (targeted therapies; the use of biomarkers to guide drug development)
- Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry
- Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets
- Provides a contemporary and forward-looking critical analysis and summary of cutting-edge technologies in drug discovery
- Chapters follow a consistent structure and feature elements such as key objective boxes, summaries, figures, methods, schemes, and tables
Graduate and postgraduate chemistry students, drug discovery scientists, computational chemists, biologists, pharmacologists, ADME scientists, and process chemists. It is also suitable for medicinal chemists at any stage of their career seeking up-to-date insights on emerging trends, biologics, and discovery targets such as kinase inhibitors in cancer
1. General Perspective – The Future of Drug Discovery
2. Drug Discovery Technologies
3. In Silico Drug Discovery Tools
4. Experimental ADME and Toxicology
5. Cancer, Immunology and Inflammation, and Infectious Disease
6. Biologics Medicine
7. CNS, Pain, Metabolic Syndrome, Cardiovascular, Tissue Fibrosis and Urinary Incontinence Case Histories in Recent Drug Discovery
2. Drug Discovery Technologies
3. In Silico Drug Discovery Tools
4. Experimental ADME and Toxicology
5. Cancer, Immunology and Inflammation, and Infectious Disease
6. Biologics Medicine
7. CNS, Pain, Metabolic Syndrome, Cardiovascular, Tissue Fibrosis and Urinary Incontinence Case Histories in Recent Drug Discovery
- Edition: 4
- Latest edition
- Published: May 1, 2026
- Language: English
DR
David Rotella
Dr. Rotella earned a PhD in medicinal chemistry from The Ohio State University and carried out postdoctoral research in organic chemistry at Penn State University. He joined the faculty at Montclair State University in July 2011 as the Margaret and Herman Sokol Professor of medicinal chemistry after a successful career in the pharmaceutical industry. He is an expert in the discovery and optimization of small molecule drug candidates for use in metabolic, cardiovascular, cancer, and central nervous system diseases. His current research is focused on discovering new lead compounds for use in parasitic and central nervous system diseases. He has coedited the seventh edition of Burger's Medicinal Chemistry and the third edition of Comprehensive Medicinal Chemistry. He has authored 50 peer-reviewed articles, is an inventor on 8 issued US patents, and has contributed 10 book chapters.
Affiliations and expertise
Sokol Professor of Chemistry and Director, Sokol Institute of Pharmaceutical and Life Sciences, Department of Chemistry & Biochemistry, Montclair State University, NJ, USASW
Simon Ward
Simon Ward is currently the Sêr Cymru Professor in Translational Drug Discovery and Director of the Medicines Institute at Cardiff University.
Simon has a wide-ranging experience from over 25 years of drug discovery in senior roles in major pharmaceutical companies, biotech & academia (GlaxoSmithKline, BioCrea, Knoll Pharmaceuticals, Vernalis, Chiroscience, University of Sussex, Cardiff University). He has led multidisciplinary project teams for a wide range of diseases. Within academia, he has successfully secured over £50M funding to lead a portfolio of drug discovery and clinical development projects. He also has considerable experience of commercial deal making and has multiple additional roles in biotech companies.
Simon is a Fellow of the Royal Society of Chemistry and is an internationally recognised expert in medicinal chemistry leading to many external roles on scientific advisory boards, charity and government funding panels and scientific societies.
Affiliations and expertise
Sêr Cymru Professor, Translational Drug Discovery and Director of the Medicines Institute, Cardiff University, Cardiff, UK