Title : Potential inhibitors of angiotensin converting enzyme 2 receptor of COVID-19 by Corchorus olitorius Linn using docking, molecular dynamics, conceptual DFT investigation and pharmacophore mapping.

Pub. Date : 2021 Mar 11

PMID : 33706683






1 Functional Relationships(s)
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1 The results of the docking simulation revealed that methyl-1,4,5-tri-O-cafeoyl quinate has a stronger bond, high affinity and gives the best docking scores compared to, the co-crystallized inhibitor (PRD_002214) of the enzyme ACE2, chloroquine, hydroxychloroquine, captopril and simerprevir antiviral drugs. Hydroxychloroquine angiotensin converting enzyme 2 Homo sapiens