Abstract

IN SILICO SCREENING OF ACTIVE COMPONENT IDENTIFIED IN ACETONE EXTRACT OF ACACIA NILOTICA LEAVES AGAINST CANCER TARGET PROTEINS

Dr. G. Hemamalini* and Dr. P. Nirmala

Abstract

Acacia nilotica is a widely distributed well known multipurpose medicinal tree used in ethno medical management of a wide range of disorders. In the present work, the phytochemical analysis of active acetone fraction of A. nilotica leaves extract was performed using GCMS and the major compound Butanedioic acid, hydroxyl also known as Malic acid was selected as ligand for in silico molecular docking study against cancer receptor proteins such as Gamma glutamyl transferase, Human estrogen receptor, BMX non receptor tyrosine kinase, cyclooxygenase 2 and neuron specific enolase. Malic acid showed higher docking score towards neuron specific enolase (63.026) and also shares higher number of hydrogen bonds (6), the least score was by cyclooxygenase 2, but it has highest PLP score that indicates the stronger receptor-ligand binding. So Malic acid proved good docking result towards all the five target proteins that bring conformational changes, hence, the virulence of cancer may be reduced.

Keywords: Acacia nilotica, GCMS, Malic acid, Molecular docking.