期刊
BIOMOLECULES
卷 11, 期 7, 页码 -出版社
MDPI
DOI: 10.3390/biom11071048
关键词
SARS-CoV-2; polydatin; resveratrol; molecular docking; protein-binding; ACE2; Spike binding-inhibition
资金
- Italian Ministry of Education University and Research (MIUR) [AIM1829571-1 CUP E61G19000090002, PRIN 2017YJMPZN001]
In the search for new therapeutic strategies against SARS-CoV-2, the study found that the natural polyphenols polydatin and resveratrol can interact with the viral protein Spike and the host receptor ACE2, with polydatin showing stronger inhibitory activity against ACE2:Spike recognition compared to resveratrol.
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.
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