In the search for new therapeutic strategies to contrast SARS-CoV-2, we here studied the interaction of polydatin (PD) and resveratrol (RESV)—two natural stilbene polyphenols with manifold, well known biological activities—with Spike, the viral protein essential for virus entry into host cells, and ACE2, the angiotensin-converting enzyme present on the surface of multiple cell types (including respiratory epithelial cells) which is the main host receptor for Spike binding. Molecular Docking simulations evidenced that both compounds can bind Spike, ACE2 and the ACE2:Spike complex with good affinity, although the interaction of PD appears stronger than that of RESV on all the investigated targets. Preliminary biochemical assays revealed a significant inhibitory activity of the ACE2:Spike recognition with a dose-response effect only in the case of PD.
【저자키워드】 SARS-CoV-2, molecular docking, resveratrol, Polydatin, protein-binding, ACE2:Spike binding-inhibition, 【초록키워드】 ACE2, spike, virus entry, targets, therapeutic strategy, binding, Angiotensin-converting enzyme, Interaction, cell type, host cells, Viral protein, host receptor, complex, Compound, inhibitory activity, respiratory epithelial cells, biochemical assay, investigated, appear, evidenced, 【제목키워드】 COVID-19, Interference, focus, Recognition, Action, Potential,