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
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...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-07-01
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| Series: | Biomolecules |
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| Online Access: | https://www.mdpi.com/2218-273X/11/7/1048 |
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| author | Fulvio Perrella Federico Coppola Alessio Petrone Chiara Platella Daniela Montesarchio Annarita Stringaro Giampietro Ravagnan Maria Pia Fuggetta Nadia Rega Domenica Musumeci |
| author_facet | Fulvio Perrella Federico Coppola Alessio Petrone Chiara Platella Daniela Montesarchio Annarita Stringaro Giampietro Ravagnan Maria Pia Fuggetta Nadia Rega Domenica Musumeci |
| author_sort | Fulvio Perrella |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T09:44:51Z |
| format | Article |
| id | doaj.art-41f0f64d6ec2442383c2846c131d74af |
| institution | Directory Open Access Journal |
| issn | 2218-273X |
| language | English |
| last_indexed | 2024-03-10T09:44:51Z |
| publishDate | 2021-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Biomolecules |
| spelling | doaj.art-41f0f64d6ec2442383c2846c131d74af2023-11-22T03:19:25ZengMDPI AGBiomolecules2218-273X2021-07-01117104810.3390/biom11071048Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical AssaysFulvio Perrella0Federico Coppola1Alessio Petrone2Chiara Platella3Daniela Montesarchio4Annarita Stringaro5Giampietro Ravagnan6Maria Pia Fuggetta7Nadia Rega8Domenica Musumeci9Department of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyNational Center for Drug Research and Evaluation, Italian National Institute of Health, 00161 Rome, ItalyInstitute of Translational Pharmacology, Consiglio Nazionale delle Ricerche, 00133 Rome, ItalyInstitute of Translational Pharmacology, Consiglio Nazionale delle Ricerche, 00133 Rome, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyIn 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.https://www.mdpi.com/2218-273X/11/7/1048SARS-CoV-2polydatinresveratrolmolecular dockingprotein-bindingACE2:Spike binding-inhibition |
| spellingShingle | Fulvio Perrella Federico Coppola Alessio Petrone Chiara Platella Daniela Montesarchio Annarita Stringaro Giampietro Ravagnan Maria Pia Fuggetta Nadia Rega Domenica Musumeci 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 SARS-CoV-2 polydatin resveratrol molecular docking protein-binding ACE2:Spike binding-inhibition |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | SARS-CoV-2 polydatin resveratrol molecular docking protein-binding ACE2:Spike binding-inhibition |
| url | https://www.mdpi.com/2218-273X/11/7/1048 |
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