Evaluation of In-silico Pharmacokinetics, Cytotoxicity prediction and Molecular Docking Studies of Ganomestenol

Abstract

The present study finds out the in-silico pharmacokinetics, cytotoxicity prediction and molecular docking studies of Ganomestenol. The ganomestenol were subjected for in silico pharmacokinetics such as gastro intestinal absorption, P-glycoprotein, blood brain barrier, lipinski’s rule etc., and toxicity prediction parameters such as hepatotoxicity, carcinogenicity, immunogenicity, mutagenicity and cell line cytotoxicity. The results showed that the compound may be drug candidate for various pharmacological studies. To support for the antimicrobial activity, in-silico drug Ganomestenol interaction with bacterial (PDB ID: 1ZKN) and fungal (PDB ID: 1EA1) target proteins were studied by using autodock4 tool showed good binding energy with target proteins.