Title : De novo design, retrosynthetic analysis and combinatorial synthesis of a hybrid antiviral (VTAR-01) to inhibit the interaction of SARS-CoV2 spike glycoprotein with human angiotensin-converting enzyme 2.

Pub. Date : 2020 Oct 15

PMID : 32878881






1 Functional Relationships(s)
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1 In silico screening, molecular mechanics and molecular dynamics simulation (MDS) analysis suggest ribavirin, ascorbate, lopinavir and hydroxychloroquine have strong interaction at the RBD-hACE2 interface. Hydroxychloroquine angiotensin converting enzyme 2 Homo sapiens