Title : Prophylactic and therapeutic potential of selected immunomodulatory agents from Ayurveda against coronaviruses amidst the current formidable scenario: an in silico analysis.

Pub. Date : 2021 Jul 9

PMID : 34243689






2 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 Affinity of phytoconstituents towards SARS-CoV-2 spike protein-human ACE2 complex decreased as isomeldenin > tinosporaside > EGCG whereas in case of unbound ACE2, the strength of binding followed the order isomeldenin > tinosporaside > ellagic acid. epigallocatechin gallate surface glycoprotein Severe acute respiratory syndrome coronavirus 2
2 SAR analysis revealed that isomeldenin, tinosporaside, EGCG and ellagic acid bind to viral spike glycoproteins via H-bond, Pi-Pi, Pi-sigma and Pi-alkyl type interactions. epigallocatechin gallate surface glycoprotein Severe acute respiratory syndrome coronavirus 2