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Molecular docking analysis of Bcl-2 with phytocompounds


Chandrasekaran Kirubhanand1, Jayaraman Selvaraj2, Umapathy Vidhya Rekha3, Veeraraghavan Vishnupriya2, Venkatachalam Sivabalan4, Mathayan Manikannan5, Devarajan Nalini6, Periyasamy Vijayalakshmi7, Manikkam Rajalakshmi7, Rajagopal Ponnulakshmi8,*



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


Dr. Rajagopal Ponnulakshmi - E-mail: ramgslaks@gmail.com; Corresponding author*


Article Type

Research Article



Received March 3, 2020; Revised April 30, 2020; Accepted May 9, 2020; Published June 30, 2020



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.



Breast cancer, bioactive compounds, Bcl-2, molecular docking



Kirubhaanad et al. Bioinformation 16(6): 468-473 (2020)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.