The Inhibiting Effect of GB-2, (+)-Catechin, Theaflavin, and Theaflavin 3-Gallate on Interaction between ACE2 and SARS-CoV-2 EG.5.1 and HV.1 Variants.

Publication date: Aug 31, 2024

The ongoing COVID-19 pandemic, caused by SARS-CoV-2, continues to pose significant global health challenges. The results demonstrated that GB-2 at 200 μg/mL effectively increased the population of 293T-ACE2 cells with low RBD binding for both SARS-CoV-2 Omicron EG. 5.1 and HV. 1 variants by dual-color flow cytometry, indicating its ability to inhibit virus attachment. Further investigation revealed that (+)-catechin at 25 and 50 μg/mL did not significantly alter the ACE2-RBD interaction for the EG. 5.1 variant. In contrast, theaflavin showed inhibitory effects at both 25 and 50 μg/mL for EG. 5.1, while only the higher concentration was effective for HV. 1. Notably, theaflavin 3-gallate exhibited a potent inhibition of ACE2-RBD binding for both variants at both concentrations tested. Molecular docking studies provided insight into the binding mechanisms of theaflavin and theaflavin 3-gallate with the RBD of EG. 5.1 and HV. 1 variants. Both compounds showed favorable docking scores, with theaflavin 3-gallate demonstrating slightly lower scores (-8 kcal/mol) compared to theaflavin (-7 kcal/mol) for both variants. These results suggest stable interactions between the compounds and key residues in the RBD, potentially explaining their inhibitory effects on virus attachment. In conclusion, GB-2, theaflavin, and theaflavin 3-gallate demonstrate significant potential as inhibitors of the ACE2-RBD interaction in Omicron variants, highlighting their therapeutic promise against COVID-19. However, these findings are primarily based on computational and in vitro studies, necessitating further in vivo research and clinical trials to confirm their efficacy and safety in humans.

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Concepts Keywords
293t ACE2 protein, human
Docking Angiotensin-Converting Enzyme 2
Global Angiotensin-Converting Enzyme 2
Kcal Antiviral Agents
Pandemic Antiviral Agents
Biflavonoids
Biflavonoids
Catechin
Catechin
COVID-19
COVID-19 Drug Treatment
Enterovirus B, Human
Gallic Acid
Gallic Acid
GB-2
HEK293 Cells
Humans
Molecular Docking Simulation
omicron variants
Protein Binding
SARS-CoV-2
SARS-CoV-2
Spike Glycoprotein, Coronavirus
Spike Glycoprotein, Coronavirus
spike protein
spike protein, SARS-CoV-2
theaflavin
theaflavin
theaflavin 3-gallate
theaflavine gallate
Virus Attachment

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