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

Autor: Alessio Petrone, Giampietro Ravagnan, Daniela Montesarchio, Annarita Stringaro, Chiara Platella, Federico Coppola, Domenica Musumeci, Nadia Rega, Fulvio Perrella, Maria Pia Fuggetta
Přispěvatelé: Perrella, F., Coppola, F., Petrone, A., Platella, C., Montesarchio, D., Stringaro, A., Ravagnan, G., Fuggetta, M. P., Rega, N., Musumeci, D.
Jazyk: angličtina
Rok vydání: 2021
Předmět:
0301 basic medicine
Cell type
Glucoside
Viral protein
ACE2:Spike binding-inhibition
Plasma protein binding
Resveratrol
resveratrol
medicine.disease_cause
Inhibitory postsynaptic potential
Microbiology
Biochemistry
Article
03 medical and health sciences
chemistry.chemical_compound
0302 clinical medicine
Glucosides
Viral entry
Drug Discovery
Stilbenes
medicine
polydatin
Humans
Enzyme Inhibitor
Enzyme Inhibitors
Receptor
Molecular Biology
Drug discovery
SARS-CoV-2
COVID-19
molecular docking
QR1-502
COVID-19 Drug Treatment
Cell biology
Host-Pathogen Interaction
Molecular Docking Simulation
030104 developmental biology
chemistry
030220 oncology & carcinogenesis
Host-Pathogen Interactions
Spike Glycoprotein
Coronavirus
protein-binding
Angiotensin-Converting Enzyme 2
Spike Glycoprotein
Coronaviru
hormones
hormone substitutes
and hormone antagonists
Drugs
Chinese Herbal
Human
Protein Binding
Zdroj: Biomolecules
Volume 11
Issue 7
Biomolecules, Vol 11, Iss 1048, p 1048 (2021)
ISSN: 2218-273X
DOI: 10.3390/biom11071048
Popis: 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.
Databáze: OpenAIRE
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