Title : In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2.

Pub. Date : 2022 Mar 9

PMID : 35262828






3 Functional Relationships(s)
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1 In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2. Quercetin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
2 The current study was therefore conducted to examine the noted novel derivatives of quercetin present in plant sources as an immune modulator and as an antiviral molecule in the COVID-19 disease and also to study their affinity of binding with potential three targets reported for coronavirus, i.e., papain-like protease, spike protein receptor-binding domain, and 3C-like protease. Quercetin surface glycoprotein Severe acute respiratory syndrome coronavirus 2
3 Docking was performed finally using PyRx having AutoDock Vina to identify the efficacy of binding between quercetin derivatives with papain-like protease, spike protein receptor-binding domain, and 3C-like protease. Quercetin surface glycoprotein Severe acute respiratory syndrome coronavirus 2