Prediction of interaction of various apoptotic proteins with Sulforaphane (SFN) isolated from Brassica oleraceae using docking studies

Abstract

Sulforaphane an isothiocyanate formed by hydrolysis of glucosinolates exerts various activities such as antitumor, antioxidant and anti-inflammatory activities. Previous research proved the induction of apoptosis by SFN in HEp-2 cell line. Here we studied the structure activity relationship of sulforaphane with various apoptosis proteins such as p53, bax, bcl-2 and caspases by docking studies using molecular docking server. Molecular models were used to study the interactions of SFN with various binding pockets in the protein. SFN was successfully docked to all the proteins and their binding energies were comparable with positive inducer of apoptosis 5FU. The results were appreciable and in agreement with our earlier research. Hence, SFN from plant source can be developed as a promising lead in adjuvant cancer chemotherapy.