This book guides medicinal chemists in how to implement early ADMET testing in their workflow in order to improve both the speed and efficiency of their efforts. Although many pharmaceutical companies have dedicated groups directly interfacing with drug discovery, the scientific principles and strategies are practiced in a variety of different ways. This book answers the need to regularize the drug discovery interface; it defines and reviews the field of ADME for medicinal chemists. In addition, the scientific principles and the tools utilized by ADME scientists in a discovery setting, as applied to medicinal chemistry and structure modification to improve drug-like properties of drug candidates, are examined.
Table of Contents
Chapter 1: Introduction (Corinne Kay).
Chapter 2: In silico ADME/Tox Predictions (David Lagorce, Christelle Reynes, Anne-Claude Camproux, Maria A. Miteva, Olivier Sperandio, and Bruno O. Villoutreix).
Chapter 3: Absorption and Physicochemical Properties of the NCE (Jon Selbo and Po-Chang Chiang).
Chapter 4: ADME (Martin E. Dowty, Dean M. Messing, Yurong Lai, and Leonid (Leo) Kirkovsky).
Chapter 5: Pharmacokinetics for Medicinal Chemists (Leo Kirkovsky and Anup Zutshi).
Chapter 6: Cardiac Toxicity (Ralf Kettenhofen and Silke Schwengberg).
Chapter 7: Genetic Toxicity: In Vitro Approaches for Medicinal Chemists (Richard M. Walmsley and David Elder).
Chapter 8: Hepatic Toxicity (Jinghai James Xu and Keith Hoffmaster).
Chapter 9: In Vivo Toxicological Considerations (John P. Devine, Jr.).
Chapter 10: Pre-clinical Candidate Nomination and Development (Nils Bergenhem).
Chapter 11: Fragment-Based Drug Design: Considerations for Good ADME Properties (Haitao Ji).