Title : Pomegranate peel polyphenols prophylaxis against SARS-CoV-2 main protease by in-silico docking and molecular dynamics study.

Pub. Date : 2021 Sep 27

PMID : 34569409






2 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Among the 44 studied compounds, 37 polyphenols show interaction with the catalytic dyad of the Mpro protease and 18 polyphenols have a higher binding affinity than that of the Mpro protease inhibitor (N3), indicating their high probability of binding at ACE2: SARS-CoV-2 interface. Polyphenols angiotensin converting enzyme 2 Homo sapiens
2 Among the 44 studied compounds, 37 polyphenols show interaction with the catalytic dyad of the Mpro protease and 18 polyphenols have a higher binding affinity than that of the Mpro protease inhibitor (N3), indicating their high probability of binding at ACE2: SARS-CoV-2 interface. Polyphenols angiotensin converting enzyme 2 Homo sapiens