Kaushik Sarkar

Computational Drug Design for Beginners Kaushik Sarkar

This book is designed as text for the students of pursuing careers in the fields of molecular biology, pharmacy and bioinformatics. As a student friendly text, it embodies several scholastic features such as detailed example, numerous tables, figures, flow chart. The detail tools, methods and wide applications are included in the text. An excellent references have been involved in all phases of drug research and drug development. This book should prove an invaluable asset to the students who are beginners in the research field of computer-aided drug design. The first chapter includes quorum sensing in bacterial virulence and possibilities for its control and also discuss some of the recent techniques to encounter bacterial virulence based on quorum sensing inhibition mechanism. The second chapter comprises the details of the different paths of quorum quenching in both gram-positive and gram-negative bacteria. The third chapter focuses on the inhibition of QS mechanisms and the application of QSI in various burning fields. Fourth chapter contains in silico study of a natural based quorum sensing inhibitor and its derivatives in different solvent media. Fifth chapter relates with the identify and screen the best phytochemicals as potent inhibitors against Aurora Kinase. Sixth chapter encompasses the selection of drug efficacy of Oroidin derivatives as Hsp90 inhibitors by computer aided drug design method. The seventh chapter covers the hamamelitannin and rosmarinic acid as a probable inhibitors of pandemic COVID-19 receptor as compared to antimalarial drugs hydroxychloroquine, anti-viral drug remdesivir, and also baricitinib. Last chapter confines the discussion of some chemical drugs and plant based compounds as potent inhibitors against COVID-19.