Title

Insights from the molecular docking and simulation analysis of seocalcitol with ACE2 and vitamin D receptor

Authors

Sumanpreet Kaur¹, Deepak Yadav¹, Sukhpreet Singh¹, Monu Kumari¹, Deepak Kumar¹, Kirtimaan Syal², Rajasri Bhattacharyya^1,* & Dibyajyoti Banerjee^1,*

Affiliation

¹Department of Experimental Medicine and Biotechnology, Postgraduate Institute of Medical Education and Research, Chandigarh- 160012, India; ²Department of Biological Sciences, Birla Institute of Technology and Science-Pilani, Hyderabad campus, Hyderabad, Telangana -500078, India; *Corresponding author

Email

Sumanpreet Kaur - E-mail: sumankamboj436@gmail.com
Deepak Yadav - E-mail: dr.dpkydv@gmail.com
Sukhpreet Singh - E-mail: sukhpreet4827@gmail.com
Monu Kumari - E-mail: monabhardwaj2196@gmail.com
Deepak Kumar - E-mail: deepakk1812@gmail.com
Kirtimaan Syal - E-mail: ksyal@hyderabad.bits-pilani.ac.in
Rajasri Bhattacharyya - E-mail: bdr.rajasri@yahoo.in; b.rajasri@pgimer.edu.in
Dibyajyoti Banerjee - E-mail: dibyajyoti5200@yahoo.co.in; banerjee.dibyajyoti@pgimer.edu.in; Phone: +91 9780134620

Article Type

Research Article

Date

Received October 1, 2024; Revised November 5, 2024; Accepted November 5, 2024, Published November 5, 2024

Abstract

COVID-19 has caused a severe impact on global health. Several studies have reported the use of Vitamin D in the management of COVID-19 illness; however, the molecular basis of its action is not clear. This draws an interest to understand the molecular insights of binding of vitamin D and its analogues with ACE2 (angiotensin-converting enzyme 2) and VDR (vitamin D receptor) using molecular docking analysis. Here, we have documented the molecular docking and simulation analysis of the binding interactions of seocalcitol with ACE2 and VDR for further consideration in managing COVID-19.

Keywords

Angiotensin converting enzyme 2 (ACE2); Vitamin D; Seocalcitol; COVID-19; molecular docking; vitamin D receptor (VDR).

Citation

Kaur et al. Bioinformation 20(11): 1480-1482 (2024)

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.