22 Best Books on Medicinal Chemistry

“Medicinal Chemistry” Book Review: This book offers a comprehensive understanding of the structure and mechanism of action of pharmaceuticals. It covers the latest developments in medicinal chemistry, detailing the process of drug synthesis and its mode of action in the human body. The book is aimed at undergraduate students pursuing courses in medicine and pharmacology.

“Medicinal Chemistry” Book Review: This book presents a comprehensive account of the chemical classification, chemical nomenclature, and ownership details of various important medicinal compounds, along with their individual synthesis processes. The book also provides a concise summary of the therapeutic applications and routes of administration for each compound. It is a valuable resource for undergraduate students of medicine and pharmacology.

“Textbook of Medicinal Chemistry” Book Review: The focus of this book is on the field of synthetic drug medicinal chemistry, encompassing a range of topics including combinatorial chemistry, drugs derived from natural sources, biological membranes, receptors, and enzymes. The book will prove to be a valuable resource for students pursuing M. Pharm., M. Sc. in organic chemistry, and pharmaceutical chemistry.

“Medicinal Chemistry” Book Review: This book offers an in-depth understanding of the structure and mechanism of action of pharmaceuticals. It covers the latest advances in medicinal chemistry, drug synthesis, and how drugs work in the body. The book is intended for undergraduate courses in medicine and pharmacology.

“Medicinal Chemistry: An Introduction” Book Review: The topics covered in this book include combinatorial chemistry, drugs obtained from natural sources, biological membranes, receptors, and enzymes. In addition, the book also explores nucleic acids, pharmacokinetics, drug metabolism, and complexes and chelating agents. This comprehensive resource is particularly beneficial for students pursuing undergraduate courses in medicine and pharmacology.

“Essentials of Foye’s Principles of Medicinal Chemistry” Book Review: This book aims to provide readers with a fundamental understanding of how drugs work, and how this understanding can be applied in modern pharmacy practice. It covers important concepts such as the mechanism of action (MOA), structure-activity relationships (SAR), and physicochemical and pharmacokinetic properties of drugs.

“An Introduction to Medicinal Chemistry” Book Review: This book is a comprehensive resource that covers the fundamental biochemistry that underpins the field of medicinal chemistry. It introduces the formation and function of key drug targets, along with an explanation of how drugs interact with the body and their corresponding effects. Additionally, the book delves into the essential principles and strategies involved in drug discovery and development. Other important topics covered in the book include antiviral and anticancer agents, cholinergics, and anticholinesterases, as well as antiulcer agents.

“Computational Medicinal Chemistry Set” Book Review: This collection of books offers extensive and valuable information to professionals in the pharmaceutical industry, as well as undergraduate and postgraduate students who are interested in learning about molecular interactions and drug discovery. The books cover current knowledge on the application of quantitative and computational methods for analysis, prediction, and optimization. Topics include structure-based design, molecular modeling, simulation, and various statistical models. The collection is divided into several parts: the first part covers drug design strategies using quantitative approaches; the second part focuses on computational approaches to nuclear receptors; the third part covers physico-chemical and computational approaches to drug discovery; the fourth part explains the efficient design of safe nanomaterials through a combination of computational approaches and experimental techniques; and the fifth part discusses approaches to drug discovery in ligand-protein interactions.

“Computational Medicinal Chemistry for Drug Discovery” Book Review: This book provides a comprehensive guide for those interested in molecular interactions and drug discovery. It covers techniques used by industries for designing ligands and includes contributions by over 50 renowned scientists. Topics discussed include computational medicinal chemistry, molecular structure computation, intermolecular behavior, and interaction between ligand and receptor. The book is written in response to the proven value of computational chemistry in the introduction of new medicines. It explains molecular mechanics, semi-empirical methods, quantum chemistry based on wave function, density functional theory, generation of 3-D structure, and other hybrid methods. This book is a valuable resource for those in the pharmaceutical industry and related fields.

“In Silico Medicinal Chemistry: Computational Methods to Support Drug Design (Theoretical and Computational Chemistry Series)” Book Review: This book is a useful reference for researchers new to the fields of chemoinformatics, computational chemistry, and molecular modeling. It covers various computational tools used in drug design, exploring methodologies and applications in silico medicinal chemistry. The book is divided into four parts: the first explains molecular representation methods and common structure file formats, the second covers frequently used molecular descriptors, the third explains statistical learning methods for chemical structure data, including ligand docking and virtual library design, and the fourth explains the application of these methods throughout different stages of drug discovery.

“Chemoinformatics: Theory, Practice, and Products” Book Review: This book is aimed at researchers in the pharmaceutical and chemical industries, graduate students, academic investigators, and computational scientists who want to keep up-to-date with the latest developments. It provides both theoretical and practical knowledge in the field of modern Chemoinformatics and drug discovery informatics technologies. Additionally, the book assists in selecting the appropriate Chemoinformatics technology. Topics covered include molecular modelling, reactions, spectra, and structure-activity relationships of chemicals. The book also gives an overview of currently available commercial Chemoinformatics products, focusing on databases, toolkits, and modelling technologies used in drug discovery design.

“Chemoinformatics in Drug Discovery, Volume 23 (Methods and Principles in Medicinal Chemistry)” Book Review: This handbook is designed to meet the needs of computational scientists, medicinal chemists, and biologists seeking the most effective technology for rational drug design. It presents an integrated approach using advanced computational methods for drug discovery, and includes input from chemoinformatics experts in academia, large pharmaceutical companies, and service providers. The book provides practical examples of how computational tools can be applied to real-world drug discovery challenges, offering solutions to common issues. It also emphasizes how these tools can improve every stage of the drug discovery process, from managing compound databases to hit-to-lead transition and virtual screening.

“Tutorials in Chemoinformatics” Book Review: This book is a comprehensive guide to chemoinformatics, featuring 30 tutorials and over 100 exercises. It is designed for undergraduate and graduate students, as well as professionals in the pharmaceutical industry and academic researchers. The book covers a wide range of topics including data correction, chemical database development, molecular encoding, library design, data analysis, visualization, and modeling of structure-property/activity relationships. It also explores ensemble modeling approaches, 3D pharmacophores, protein-ligand docking, and algorithm implementation in high-level programming languages. The book is complemented by online software and data sets.

“An Introduction to Chemoinformatics” Book Review: This book is suitable for final-year undergraduates, graduate students, and professionals in the field, without any prerequisite knowledge required. The book provides in-depth content with various examples and case studies to enhance understanding. It begins with an introduction to major techniques in chemoinformatics, drawing from mathematics, computer science, computational chemistry, and data visualization to address these problems. The book is divided into two parts: the first unit covers the representation of 2D and 3D molecular structures, molecular descriptor calculation, and construction of mathematical models; the second unit covers other topics such as molecular similarity, large data set analysis, virtual screening, and library design.

“Practical Chemoinformatics” Book Review: This book presents a comprehensive overview of the impact of chemoinformatics in chemical, clinical, and material sciences. It is written in a simple and clear style to attract students who want to master this subject. The topics covered in the book include techniques, data, and tools related to chemoinformatics. The book includes algorithms, open-source datasets, tutorials, guidelines, practice questions, and exercises with standard datasets, making it a valuable resource for the academic research community. Additionally, each chapter includes a section on the development of new software tools that are relevant to the growing drug, fine chemicals, and life sciences industries. The book is suitable for beginners looking to improve their skills and also for experts seeking to cultivate new interests.

“Chemoinformatics: Advanced Control and Computational Techniques” Book Review: This book provides a comprehensive overview of computational techniques used for processing chemical and biological structural data. Theoretical background to various methods is presented, along with data analysis techniques, industrial applications, and current research. The book also includes practical experience of commercially available systems and small-scale chemoinformatics projects. It is suitable for academics, researchers, engineers, and designers, covering new techniques and novel applications of existing methods. The book offers innovative approaches for educational, scientific, and industrial research activities for chemical engineers, including the latest developments in chemical databases and computational methods, algorithms, and tools for chemical programming and engineering.

“Mathematical Chemistry and Chemoinformatics: Structure Generation, Elucidation and Quantitative Structure-Property Relationships” Book Review: This book is an introduction to numerical modeling of molecules and its applications, including structure generation, explanation, and QSAR/QSPR. It is relevant to professionals in various fields, such as drug discovery and environmental science. The book explains the mathematical theory behind molecule representation and provides online exercises. Later chapters cover QSPR and QSAR analyses and structure explanation with mass spectrometry and design generation. This book is useful for users of structure generation techniques, educators, learners of mathematical science, and design programmers in chemoinformatics.

“Small Molecule Medicinal Chemistry: Strategies and Technologies” Book Review: This book is a comprehensive guide for medicinal chemists working with small molecules. It covers topics such as lead optimization, hit identification, and structure-activity relationships. The book is organized into 15 chapters covering important areas such as target identification, lead discovery, drug metabolism, and optimization. It also includes case studies to illustrate the application of the discussed strategies and technologies. This book is a valuable resource for professionals and students in the field of medicinal chemistry.

“Chemoinformatics and Computational Chemical Biology” Book Review: This book is a comprehensive guide for computational scientists, chemists, and biologists seeking to use computational methods for drug discovery. The book covers topics such as molecular databases, similarity searching, molecular descriptors, QSAR modeling, molecular docking, and molecular dynamics simulations. Other topics include protein-ligand interactions, target identification, and systems pharmacology. The book also includes case studies illustrating the successful application of chemoinformatics and computational methods in drug discovery.

“Synthesis of Heterocycles in Contemporary Medicinal Chemistry” Book Review: This book presents the latest developments and upcoming directions in the field of heterocyclic compounds. It encompasses all aspects of heterocyclic chemistry, including both experimental and theoretical concepts. Additionally, all the chapters are accessible online, and the book contains a list of references at the end.