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Kirubhanand C, Selvaraj J, Rekha UV, et al. Molecular docking analysis of Bcl-2 with phyto-compounds. Bioinformation. 2020;16(6):468-473doi: 10.6026/97320630016468.
Kirubhanand, C., Selvaraj, J., Rekha, U. V., Vishnupriya, V., Sivabalan, V., Manikannan, M., Nalini, D., Vijayalakshmi, P., Rajalakshmi, M., & Ponnulakshmi, R. (2020). Molecular docking analysis of Bcl-2 with phyto-compounds. Bioinformation, 16(6), 468-473. https://doi.org/10.6026/97320630016468
Kirubhanand, Chandrasekaran, et al. "Molecular docking analysis of Bcl-2 with phyto-compounds." Bioinformation vol. 16,6 (2020): 468-473. doi: https://doi.org/10.6026/97320630016468
Kirubhanand C, Selvaraj J, Rekha UV, Vishnupriya V, Sivabalan V, Manikannan M, Nalini D, Vijayalakshmi P, Rajalakshmi M, Ponnulakshmi R. Molecular docking analysis of Bcl-2 with phyto-compounds. Bioinformation. 2020 Jun 30;16(6):468-473. doi: 10.6026/97320630016468. eCollection 2020. PMID: 32884211; PMCID: PMC7452744.
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Bioinformation. 2020 Jun 30;16(6):468-473. doi: 10.6026/97320630016468. eCollection 2020.

Molecular docking analysis of Bcl-2 with phyto-compounds.

Bioinformation

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

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.

PMID: 32884211 PMCID: PMC7452744 DOI: 10.6026/97320630016468

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.

© 2020 Biomedical Informatics.

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

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