Title : Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein - Human ACE2 interface.

Pub. Date : 2021 May 15

PMID : 33583954

1 Functional Relationships(s)
Compound Name
Protein Name
1 The results of molecular docking positioned four molecules at the interaction site Tyr-491(Spike)-Glu-37(ACE2) and one at the site Gly-488(Spike)-Lys-353(ACE2). Lysine surface glycoprotein Severe acute respiratory syndrome coronavirus 2