Molecular docking analysis of quercetin with known CoVid-19 targets

Title

Molecular docking analysis of quercetin with known CoVid-19 targets

Authors

Sridevi Chandra Subash Chandran¹^, Ireen Christopher2,3, Aishwariya Sounderraajan^2,3, Viji Murugesan^2,3^, Indu Sabapathy^2,3, Vijayalakshmi Periyasamy^2,3& Rajalakshmi Manikkam^2,3,4*

Affiliation

¹Sastra Deemed University, Tirumalaisamudram, Thanjavur – 613401, India;²Department of Biotechnology and Bioinformatics, Holy Cross College (Autonomous), Tiruchirappalli, Tamil Nadu, India, ³DBT-BIF Centre, Holy Cross College (Autonomous), Tiruchirappalli, Tamil Nadu, India, ⁴Department of Zoology, Holy Cross College (Autonomous), Tiruchirappalli, Tamil Nadu, *- Corresponding author.

S. Sridevi Chandra – Email: sri.chandra29@gmail.com

C. Ireen – Email: ireentrichy@gmail.com

S. Aishwariya– Email: aishu21121999@gmail.com

M. Viji- Email: vijimurugesan692@gmail.com

P. Vijayalakshmi- Email: pvijibi@gmail.com

S. Indu- Email: sabaindhu2010@gmail.com

M. Rajalakshmi- Email: mdrajimd@gmail.com

Article Type

Research Article

Date

Received November 1, 2023; Revised November 30, 2023; Accepted November 30, 2023, Published November 30, 2023

Abstract

Combat and care during CoVid-19 was non-trivial. Therefore, it is of interest to use the pharmacologically active plant component quercetin for the treatment of CoVid-19. Quercetin exhibits favourable ADMET values and abides by Lipinski's rule of five. When quercetin and remdesivir were positioned in relation to the CoVid-19 targets, quercetin exhibited a greater propensity for binding and H-bond interaction in their molecular interactions. Thus, the quercetin molecule can be used to manage CoVid-19.

Keywords

CoVid-19, quercetin, remdesivir, ADMET, docking.

Citation

Subash Chandran et al. Bioinformation 19(11): 1081-1085 (2023)

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.