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Updated: Dec 10, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Molecular docking analysis of Bcl-2 with phyto-compounds
Chandrasekaran Kirubhanand1, Jayaraman Selvaraj2, Umapathy Vidhya Rekha3
1Department of Anatomy, All India Institute of Medical Sciences, Nagpur, India.
Abstract:
The Bcl-2 protein is liked in several cancers and drug resistance to therapy is also known in this context. There are many Bcl-2 inhibitors under clinical trials. It is of further interest to design new Bcl2 inhibitors from phyto compounds such as artesunate, bruceantin, maytansin, Salvicine, indicine N-oxide, kamebanin and oxyacanthine. We report the optimal binding features of these compounds with Bcl-2 for further consideration towards in vitro and in vivo validation.
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