Molecular docking studies of B-RAF expression inhibitors identified from Strychnos potatorum (Thethankottai)

Sasikala R. P., Stela P. G. an

Abstract

The B-Raf mutation has been of a potential therapeutic relevance in melanoma and other cancersin the cancer research community. After the primary set back with the results achieved in clinical trials with the first generation RAF proto-oncogene serine/threonine-protein kinase (RAF kinase) inhibitor, Sorafenib, the validation of B-Raf as a therapeutic target kinase inhibitors is very promising. Discovery Studio 4.0 provides a set of protocols for predicting and analyzing the interaction between protein and ligands. Docking experiments were carried out for compounds identified from Strychnos potatorum seed extract with B-Rafkinase (3C4C) using Accelry’s Discovery Studio 4.0. Out of the five compounds that were selected from Strychnos potatorum seed, four compounds docked with B-Raf kinase,of which, NSC606748 and Strychnine that showed best interactions with 3C4C can be considered as lead compounds for cancer therapeutics.

Relevant Publications in Journal of Computational Methods in Molecular Design