Characterizing the ligand-binding mechanisms of human anti-apoptotic Bcl-2 protein through insilico studies

Abstract

Due to its central role in controlling apoptosis, Bcl-2 has attracted interest as a viable target in cancer therapy. This research aims to explore the structural dynamics and stability of Bcl-2 upon binding with the inhibitor Asiaticoside, while also identifying additional viable sites for drug targeting. We employed insilico methods to gain insights into the ligand binding mechanism Bcl-2. Regulation of apoptosis significantly depends on the flexible loop domain (FLD).