Molecular docking analysis of quercetin with known CoVid-19 targets

Sridevi Chandra Subash Chandran; Ireen Christopher; Aishwariya Sounderraajan; Viji Murugesan; Indu Sabapathy; Vijayalakshmi Periyasamy; Rajalakshmi Manikkam

doi:10.6026/973206300191081

Molecular docking analysis of quercetin with known CoVid-19 targets

Bioinformation. 2023 Nov 30;19(11):1081-1085. doi: 10.6026/973206300191081. eCollection 2023.

Authors

Sridevi Chandra Subash Chandran¹, Ireen Christopher^{2

3}, Aishwariya Sounderraajan^{2

3}, Viji Murugesan^{2

3}, Indu Sabapathy^{2

3}, Vijayalakshmi Periyasamy^{2

3}, Rajalakshmi Manikkam^{2

3

4}

Affiliations

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

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: ADMET; CoVid-19; docking; quercetin; remdesivir.