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Article

Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays

1
Department of Chemical Sciences, University of Naples Federico II, 80126 Naples, Italy
2
National Center for Drug Research and Evaluation, Italian National Institute of Health, 00161 Rome, Italy
3
Institute of Translational Pharmacology, Consiglio Nazionale delle Ricerche, 00133 Rome, Italy
4
Centro di Ricerca Interdipartimentale sui Biomateriali, University of Naples Federico II, Piazzale Tecchio, 80125 Naples, Italy
5
Institute of Biostructures and Bioimages, Consiglio Nazionale delle Ricerche, 80134 Naples, Italy
*
Authors to whom correspondence should be addressed.
Academic Editors: Laurent Soulère and Steffen Graether
Biomolecules 2021, 11(7), 1048; https://doi.org/10.3390/biom11071048
Received: 13 June 2021 / Revised: 9 July 2021 / Accepted: 13 July 2021 / Published: 16 July 2021
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. View Full-Text
Keywords: SARS-CoV-2; polydatin; resveratrol; molecular docking; protein-binding; ACE2:Spike binding-inhibition SARS-CoV-2; polydatin; resveratrol; molecular docking; protein-binding; ACE2:Spike binding-inhibition
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MDPI and ACS Style

Perrella, F.; Coppola, F.; Petrone, A.; Platella, C.; Montesarchio, D.; Stringaro, A.; Ravagnan, G.; Fuggetta, M.P.; Rega, N.; Musumeci, D. Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays. Biomolecules 2021, 11, 1048. https://doi.org/10.3390/biom11071048

AMA Style

Perrella F, Coppola F, Petrone A, Platella C, Montesarchio D, Stringaro A, Ravagnan G, Fuggetta MP, Rega N, Musumeci D. Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays. Biomolecules. 2021; 11(7):1048. https://doi.org/10.3390/biom11071048

Chicago/Turabian Style

Perrella, Fulvio, Federico Coppola, Alessio Petrone, Chiara Platella, Daniela Montesarchio, Annarita Stringaro, Giampietro Ravagnan, Maria P. Fuggetta, Nadia Rega, and Domenica Musumeci. 2021. "Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays" Biomolecules 11, no. 7: 1048. https://doi.org/10.3390/biom11071048

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