Computational studies of anti-inflammatory activity of some flavonoids. ADMET and in silico docking studies of phosphodiesterase inhibitory activity of some commercially available flavonoids

      Аннотация: The book entitled “Discovery of potential phosphodiesterase inhibitors using in silico docking studies”. Molecular docking studies are gaining importance in the new drug discovery process as a tool for high-throughput screening. This book deals with the evaluation of phosphodiesterase inhibitory activity of flavonoids using in silico docking studies. In this perspective, various flavonoids were analyzed for their anti-inflammatory activity, especially in inflammatory pulmonary diseases such as asthma, COPD, and rhinitis. This book highlights the information about the structural models of the flavonoids in the phosphodiesterase (PDE4) binding sites, which may facilitate further development of more potent phosphodiesterase inhibitory agents. This book will be very useful to the undergraduate, postgraduate and Ph. D., students of Pharmacists, Pharmacologists and Medicinal Chemists. Bioinformatics researchers will be interested in this book. It is a basic handbook to know about drug discovery and in silico docking studies of flavonoids against PDE4 enzyme inhibition.

Ключевые слова: flavonoids, Drug Design, Binding energy, Docking studies, Inhibition constant, Phosphodiesterase