SC2 MPro inhibitors alternatives, plant flavonoids.
1/n
#MPro #SARSCoV2 #inhibitor
Kaempferol, Quercetin, and Rutin
were able to bind at the substrate binding pocket of 3CLpro with high affinity and interact with the active site residues ..
chemrxiv.org/engage/chemrxi…
1/n
#MPro #SARSCoV2 #inhibitor
Kaempferol, Quercetin, and Rutin
were able to bind at the substrate binding pocket of 3CLpro with high affinity and interact with the active site residues ..
chemrxiv.org/engage/chemrxi…
such as His41 and Cys145 through hydrogen bonding and hydrophobic interactions. In fact, the binding affinity of Rutin was much higher than Chloroquine (1000 times) and Hydroxychloroquine (100 times) and was comparable to that of the reference drug Remdesivir. 2/n
The results suggest that natural compounds such as flavonoids have the potential to be developed as novel inhibitors of SARS-CoV-2. 3/n
Kaempferol: an encouraging flavonoid for COVID-19.
file:///C:/Users/User/Downloads/33-Texto%20del%20art%C3%ADculo-53-1-10-20200817.pdf
file:///C:/Users/User/Downloads/33-Texto%20del%20art%C3%ADculo-53-1-10-20200817.pdf
Rutin A Potential Antiviral for Repurposing as a SARS-CoV-2 Main Protease (Mpro) Inhibitor
also called sophorin, rutoside, and quercetin-3-rutinoside, is a polyphenolic flavonoid, abundantly present in various dietary sources such as buckwheat, onions, oranges, lemons, grapes,
also called sophorin, rutoside, and quercetin-3-rutinoside, is a polyphenolic flavonoid, abundantly present in various dietary sources such as buckwheat, onions, oranges, lemons, grapes,
limes, berries, peaches, plums, apples, and tomatoes, as well as in drinks such as wine and black tea. Two of the benefits are ancillary therapeutic agent for snakebites and cognitive impairment prevention. 6/n
Rutin, along with other flavonoid glycosides present in the ethanolic extract of Ficus benjamina L. (weeping fig), exhibited activity against HSV-1 and HSV2. Rutin from plum (Prunus domestica L.) was suggested as a strong inhibitor of hepatitis C virus (HCV) entry by
7/n
7/n
inhibiting the early entry stage of the HCV lifecycle. Sulfated rutin was revealed in vitro to possess an antiviral effect against HIV-1 × 4 virus IIIB, and HIV-1 R5 isolates Ada-M and Ba-L strains by blocking viral entry and virus-cell fusion through interacting with
8/n
8/n
Quercetin (1) and 8-(p-tolylselenyl)quercetin (2d) block SC2 replication in infected cells at non-toxic concentrations, with an IC50 of 192 μM and 8 μM, respectively. Based on docking experiments driven by experimental evidence,a non-covalent mechanism for Mpro inhibition in 11/n
which a hydrogen bond between the selenium atom and Gln189 residue in the catalytic pocket could explain the higher Mpro activity of 2d and, as a result, its better antiviral profile. 12/end.
pubmed.ncbi.nlm.nih.gov/34208928/
pubmed.ncbi.nlm.nih.gov/34208928/
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