Molecular docking analysis of Bcl-2 with phyto-compounds

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

doi:10.6026/97320630016468

Molecular docking analysis of Bcl-2 with phyto-compounds

Bioinformation. 2020 Jun 30;16(6):468-473. doi: 10.6026/97320630016468. eCollection 2020.

Affiliations

¹ Department of Anatomy, All India Institute of Medical Sciences, Nagpur, India.
² Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.
³ Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India.
⁴ Department of Biochemistry, KSR Institute of Dental Science and Research, Tiruchengode-637215. Tamil Nadu, India.
⁵ Centre for Drug Discovery and Development, Sathyabama Institute of Science and Technology, Chennai-600 119, India.
⁶ Central Research Laboratory, Meenakshmi Ammal Dental College, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 095, India.
⁷ DBT-BIF Centre,PG and Research Department of Biotechnology and Bioinformatics, Holy Cross College (Autonomous), Trichy, Tamil Nadu, India.
⁸ Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), West K. K. Nagar, Chennai-600 078, 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.

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