Title : Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein*.

Pub. Date : 2021 Mar 22

PMID : 33469977






2 Functional Relationships(s)
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1 We investigate binding of linoleate and other potential ligands to the recently discovered fatty acid binding site in the SARS-CoV-2 spike protein, using docking and molecular dynamics simulations. Fatty Acids surface glycoprotein Severe acute respiratory syndrome coronavirus 2
2 The SARS-CoV-2 spike fatty acid site may bind a diverse array of ligands, including dietary components, and therefore provides a promising target for therapeutics or prophylaxis. Fatty Acids surface glycoprotein Severe acute respiratory syndrome coronavirus 2