In-silico studies on phytochemical, eugenol from clove buds

Abstract

P53 is tumor suppressor gene. The P53 protein act as transcriptional factor. In human’s dimer of P53 (8F2H) is responsible for various cancer. This study evaluates in vitro and in silico study of a phytochemical eugenol obtained from clove buds. Computational docking was used to predict conformations and free binding energy. For this ligand eugenol is taken as ligand and docked with P53 dimer protein (8F2H). In silico studies were done on different conformers of ligand eugenol and receptor 8F2H protein in which minimum binding free energy was obtained to be -4.32 kcal/Mole. This study reveals the pharmacokinetics properties and Lipinski rule of five, hydrogen bond was also obtained between them. Docking results for eugenol suggests that it may be promising towards as anticancer drug candidate.