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International Journal of Molecular Sciences 2020-Jun

Molecular docking analysis of Bcl-2 with phyto-compounds

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Chandrasekaran Kirubhanand
Jayaraman Selvaraj
Umapathy Rekha
Veeraraghavan Vishnupriya
Venkatachalam Sivabalan
Mathayan Manikannan
Devarajan Nalini
Periyasamy Vijayalakshmi
Manikkam Rajalakshmi
Rajagopal Ponnulakshmi

关键词

抽象

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.

Keywords: Bcl-2; Breast cancer; bioactive compounds; molecular docking.

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