Title

Molecular docking analysis of compounds from Justica adhatoda L with the MUC1 oncoprotein

Authors

Ramajayam Govindan¹, Venkatachalam Sivabalan², Shazia Fathima JH³, Umaphathy Vidhya Rekha⁴, Senthilkumar Kalimuthu⁵, Selvaraj Jayaraman⁶, Kirubhanand Chandrasekaran^7*

Affiliation

¹Multidisciplinary Research Unit, Madurai Medical College, Madurai- 625 020, Tamil Nadu, India; ²Department of Biochemistry, KSR Dental Sciences and Research, Thiruchengodu-637215, Tamil Nadu, India; ³Department of Oral and Maxillofacial Pathology, Ragas Dental College and Hospitals, Chennai, India; ⁴Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India; ⁵Central Research Laboratory, Melmaruvathur Adhiparasakthi Institute of Medical Sciences and Research, Melmaruvathur-603319, Tamil Nadu, India; ⁶Department of Biochemistry, Saveetha dental college and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai-600 077, India; ⁷Department of Anatomy, All India Institute of Medical Sciences, Nagpur, India

Email

Dr. Kirubhanand Chandrasekaran , E-mail kirubhanand@aiimsnagpur.edu.in Corresponding author*

Article Type

Research Article

Date

Received September 15, 2020; Revised October 24, 2020; Accepted October 24, 2020; Published November 30, 2021

The MUC1 oncoprotein is known to be linked with different types of cancer. Therefore, it is of interest to document the molecular docking analysis of compounds from Justica adhatoda L with the MUC1 oncoprotein. We report the structure based molecular binding features compounds such as amrinone, ethambutol, pyrazinamide and vasicoline the MUC1 oncoprotein for further consideration in drug discovery.

Keywords

Oral cancer; MUC1 protein; Justica adhatoda L; Molecular docking.

Citation

Govindan et al. Bioinformation 16(11): 937-941 (2020)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.