Molecular Modelling and Drug Design

Molecular modelling is the scientific art of simulating chemical or biological systems, so that computational methods can be applied to understand the process concerned. Models using computers are generated using mathematical equations and are evolved based on experimental information that is taken into consideration during model building. This book is an introduction to the field of molecular modelling and drug design in which biological molecules effective in treating diseases are discovered using in silico methods.

Dr. K. Anand Solomon, Assistant Professor, Department of Bioinformatics, Sri Ramachandra University, Porur, Chennai, obtained his Masters degree in chemistry from Sri Sathya Sai University, Puttaparthi, Andhra Pradesh (1995), and served as a lecturer in the same department. Then he went on to carry out his research in the Department of Crystallography and Biophysics, University of Madras, Chennai. His teaching was focused on organic chemist r y and related f ields. His research centred on the chemistry of natural products from Meliaceae family and their antifeedant activity against Spodoptera litura, an agricultural pest. This also included structural elucidation of natural products using NMR and X-ray diffraction studies and culminated in modelling and QSAR studies. He has ten international and three national research publications to his credit.