Pomegranate peel extract polyphenols attenuate the SARS-CoV-2 S-glycoprotein binding ability to ACE2 Receptor: In silico and in vitro studies
| Autor: | Gordana Zdunić, Biljana Tubić, Milkica Grabež, Katarina Šavikin, Ranko Škrbić, Relja Suručić, Miroslav Petković, Maja Travar, Miloš P. Stojiljković |
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| Rok vydání: | 2021 |
| Předmět: |
In silico
ACE2 Pharmacology Complex Mixtures medicine.disease_cause Biochemistry Pomegranate Article Punicalin chemistry.chemical_compound Drug Discovery medicine Humans Molecular Biology Chromatography High Pressure Liquid Punicalagin Coronavirus ComputingMethodologies_COMPUTERGRAPHICS Glycoprotein binding SARS-CoV-2 Organic Chemistry Polyphenols In vitro Urolithin Molecular Docking Simulation Urolithin A chemistry Polyphenol Fruit Spike Glycoprotein Coronavirus Angiotensin-Converting Enzyme 2 Spike glycoprotein Protein Binding |
| Zdroj: | Bioorganic Chemistry |
| ISSN: | 1090-2120 |
| Popis: | Graphical abstract The novel coronavirus disease (Covid-19) has become a major health threat globally. The interaction of SARS-CoV-2 spike (S) glycoprotein receptor-binding domain (RBD) with ACE2 receptor on host cells was recognized as the first step of virus infection and therefore as one of the primary targets for novel therapeutics. Pomegranate extracts are rich sources of bioactive polyphenols that were already recognized for their beneficial health effects. In this study, both in silico and in vitro methods were employed for evaluation of pomegranate peel extract (PoPEx), their major polyphenols, as well as their major metabolite urolithin A, to attenuate the contact of S-glycoprotein RBD and ACE2. Our results showed that PoPEx, punicalin, punicalagin and urolithin A exerted significant potential to block the S-glycoprotein-ACE2 contact. These in vitro results strongly confirm the in silico predictions and provide a valuable insight in the potential of pomegranate polyphenols for application in SARS-CoV-2 infection. |
| Databáze: | OpenAIRE |
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