DESIGN AND MOLECULAR DOCKING STUDIES OF PIPERIDIN-4-ONE DERIVATIVE AS ACTIVE AGENT AGAINST HELICOBACTER PYLORI INFECTION

Abstract

Helicobacter pylori is one of the most common bacterial pathogens in the world and is an important global public health concern. Half of the world populations are seriously infected by Helicobacter pylori. In India, approximately 80% of the population is infected with the bacterium Helicobacter pylori by the age of 20. Among those, hundreds of millions of people are affected by peptic ulcer disease during their lifetime and tens of millions might develop to gastric cancer. Helicobacter pylori infections are very difficult to cure. This present work is aimed to find the solutions to overcome this problem. Black pepper is used to cure ulcer since it has piperine which has piperidin moiety. Piperidin-4-one is one of the most biological active moieties, used as drug. In the present work, more than thirty eight thousand, 2,6-diphenyl piperidone derivatives are theoretically designed and docked with 2B7N protein of Helicobacter pylori. PyRx virtual screening is used to dock protein with ligand to find lead molecules. The best docking piperidones are selected and their drug likeness properties are predicted computationally. Finally best lead molecule is identified.