Molecular docking analysis of the BRCA1 protein with compounds from Justica adhatoda L

Selvaraj Jayaraman; Vishnupriya Veeraraghavan; Radhika Nalinakumari Sreekandan; Surapaneni Krishna Mohan; Sumetha Suga Deiva Suga; Devakumar Kamaraj; Sonaimuthu Mohandoss; Sravanthi Koora

doi:10.6026/97320630016888

Molecular docking analysis of the BRCA1 protein with compounds from Justica adhatoda L

Bioinformation. 2020 Nov 30;16(11):888-892. doi: 10.6026/97320630016888. eCollection 2020.

Authors

Selvaraj Jayaraman¹, Vishnupriya Veeraraghavan¹, Radhika Nalinakumari Sreekandan², Surapaneni Krishna Mohan³, Sumetha Suga Deiva Suga⁴, Devakumar Kamaraj⁵, Sonaimuthu Mohandoss⁶, Sravanthi Koora⁷

Affiliations

¹ Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.
² Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123.
³ Department of Biochemistry and Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123.
⁴ Department of Microbiology, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123.
⁵ Department of Pharmacology, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123.
⁶ School of Chemical Engineering, Yeungnam University, Gyeongsan, Gyeongbuk-do, 38541, Republic of Korea.
⁷ Department of Pharmacology, Government Medical College Siddipet, Siddipet-502 103, Telangana, India.

Abstract

BRCA1 is a human tumour suppression gene. Therefore, it is of interest to document the Molecular docking analysis data of the BRCA1 protein with compounds from Justica adhatoda L (adhatoda). We report that Amrinone, Hexadecanoic acid, Pyrazinamide & Vasicinone have acceptable binding features with the BRCA1 protein for further consideration.

Keywords: BRCA1; Justica adhatoda L; Molecular docking.