Full Description
The first book in the newly created book series, Computer-Aided Drug Discovery and Design, focuses on the computational aspects of early drug discovery, drug target identification, and validation. It revises current classical paradigms in target and phenotypic-based drug design with still ingrained approximations and concepts and discusses the research in the new network approach concept that include kinetic selectivity and metabolic analysis.
Many often-overlooked approximations and concepts in drug discovery are fully covered. Drug Target Selection and Validation includes both introductory sections and research-based sections to be of use to both students and research scientists in drug discovery, design, kinetics and metabolic analysis. Pharmaceutical scientists, pharmaceutics, drug developers, pharmacologists, biomedical researchers in computer science, medicinal chemists, and precision medicine developers benefit from the information provided. The book concludes with a chapter on chemical and structural databases.
Contents
Drug discovery paradigms: target-based drug discovery.- Drug discovery paradigms: phenotypic-based drug discovery.- Target Identification Approaches in Drug Discovery.- Introduction to target validation.- Structure-based binding pocket detection and druggability assessment.- Network-Based Target Identification.- The Current State of Precision Medicine and Targeted-Cancer Therapies - Where are We?.- Metabolic Control Analysis for drug target selection against human diseases.- Progress on open chemoinformatic tools for drug discovery.
