LUCIDENIC ACID A INHIBITS THE BINDING OF HACE2 RECEPTOR WITH SPIKE PROTEIN TO PREVENT SARS-COV-2 INVASION
No Thumbnail Available
Date
2022
Authors
Xu, Juan
Yang, WenTao
Pan, YiFeng
Xu, HaiShun
He, Liang
Zheng, BingSong
Xie, YingQiu
Wu, XueQian
Journal Title
Journal ISSN
Volume Title
Publisher
Food and Chemical Toxicology
Abstract
High infection caused by mutations of SARS-CoV-2 calls for new prevention strategy. Ganoderma lucidum known
as a superior immunoenhancer exhibits various antiviral effects, whether it can resist SARS-CoV-2 remains unclear.
Herein, virtual screening combined with in vitro hACE2 inhibition assays were used to investigate its anti
SARS-CoV-2 effect. Potential 54 active components, 80 core targets and 20 crucial pathways were identified by
the component-target-pathway network. The binding characters of these components to hACE2 and its complexes
with spike protein including omicron variant was analyzed by molecular docking. Lucidenic acid A was
selected as the top molecule with high affinity to all receptors by forming hydrogen bonds. Molecular dynamics
simulation showed it had good binding stability with the receptor proteins. Finally, in vitro FRET test demonstrated
it inhibited the hACE2 activity with IC50 2 μmol/mL. Therefore, lucidenic acid A can prevent the virus
invasion by blocking hACE2 binding with SARS-CoV-2.
Description
Keywords
Type of access: Open Access, Anti-SARS-CoV-2, Ganoderma lucidum triterpenoids, FRET test, Natural products, Omicron variant
Citation
Akhmetzhan, G., Olaifa, K., Kitching, M., Cahill, P. A., Pham, T. T., Ajunwa, O. M., & Marsili, E. (2023). Biochemical and electrochemical characterization of biofilms formed on everolimus-eluting coronary stents. Enzyme and Microbial Technology, 163, 110156. https://doi.org/10.1016/j.enzmictec.2022.110156