Medicinal Chemistry: Drug Design Strategies and SAR Optimization($11.99Value)

Description

The book is one of very few that include the whole range of modern medicinal chemistry and the rational design and optimization of therapeutic agents. It covers the essentials of the the drug discovery process, including drug targets, the ligand–target interaction, the role of stereochemistry, drug action, and the drug action. The book outlines the major strategies of drug design, including ligand-based, structure-based, and fragment-based approaches, pharmacophore modeling, prodrugs, multi-target drugs, and provides a great overview of modern drug design. The book describes in great depth the structure–activity relationship (SAR) of a drug which describes how the presence of different functional groups and the stereochemistry and bioisosterism of the drug, as well as the possession of certain conformational constraints, impact the drug's biological activity. The book describes in great depth the different strategies of lead optimization with respect to the potency, selectivity, lipophilicity, solubility, permeability, toxicity, and therapeutic efficacy that medicinal chemists aim to achieve. The book provides in great detail the pharmacokinetics and all the responsibilities of the ADMET of a drug which include the design of a drug considering the ADMET of a drug. The book provides extensive information about the modern tools and approaches of computational chemistry in drug discovery as well as the artificial intelligence and machine learning that have become the core of modern drug discovery and greatly improved the overall process, including molecular docking, molecular dynamics, virtual screening, and chemoinformatic Practical case studies are presented in the book and demonstrate successful aspects of drug design and SAR optimization pertaining to the therapeutic use of enzyme inhibitors, receptor modulators, anticancer drugs, and antimicrobials. The book concludes with targeted drug delivery, antibody–drug conjugates, complex therapeutics, precision medicine, as well as the problems of drug resistance and complex disease mechanisms. Overall, the book provides a synthesis of the principles, practices, and advances in contemporary drug design and, as a result, a unique practical resource in drug design and medicinal chemistry for students, professionals, and researchers working in pharmacology and related fields.