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10.1016/j.fitote.2021.104909

http://scihub22266oqcxt.onion/10.1016/j.fitote.2021.104909
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suck abstract from ncbi


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pmid33894315      Fitoterapia 2021 ; 152 (ä): 104909
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  • Discovery of naturally occurring inhibitors against SARS-CoV-2 3CL(pro) from Ginkgo biloba leaves via large-scale screening #MMPMID33894315
  • Xiong Y; Zhu GH; Wang HN; Hu Q; Chen LL; Guan XQ; Li HL; Chen HZ; Tang H; Ge GB
  • Fitoterapia 2021[Jul]; 152 (ä): 104909 PMID33894315show ga
  • 3-Chymotrypsin-like protease (3CL(pro)) is a virally encoded main proteinase that is pivotal for the viral replication across a broad spectrum of coronaviruses. This study aims to discover the naturally occurring SARS-CoV-2 3CL(pro) inhibitors from herbal constituents, as well as to investigate the inhibitory mechanism of the newly identified efficacious SARS-CoV-2 3CL(pro) inhibitors. Following screening of the inhibitory potentials of eighty herbal products against SARS-CoV-2 3CL(pro), Ginkgo biloba leaves extract (GBLE) was found with the most potent SARS-CoV-2 3CL(pro) inhibition activity (IC(50) = 6.68 mug/mL). Inhibition assays demonstrated that the ginkgolic acids (GAs) and the bioflavones isolated from GBLE displayed relatively strong SARS-CoV-2 3CL(pro) inhibition activities (IC(50) < 10 muM). Among all tested constituents, GA C15:0, GA C17:1 and sciadopitysin displayed potent 3CL(pro) inhibition activities, with IC(50) values of less than 2 muM. Further inhibition kinetic studies and docking simulations clearly demonstrated that two GAs and sciadopitysin strongly inhibit SARS-CoV-2 3CL(pro)via a reversible and mixed inhibition manner. Collectively, this study found that both GBLE and the major constituents in this herbal product exhibit strong SARS-CoV-2 3CL(pro) inhibition activities, which offer several promising leading compounds for developing novel anti-COVID-19 medications via targeting on 3CL(pro).
  • |*COVID-19 Drug Treatment[MESH]
  • |Antiviral Agents/*pharmacology/therapeutic use[MESH]
  • |Biflavonoids/pharmacology/therapeutic use[MESH]
  • |Coronavirus Protease Inhibitors/*pharmacology/therapeutic use[MESH]
  • |Flavones/pharmacology/therapeutic use[MESH]
  • |Ginkgo biloba/*chemistry[MESH]
  • |Humans[MESH]
  • |Molecular Structure[MESH]
  • |Phytotherapy[MESH]
  • |Plant Extracts/*pharmacology/therapeutic use[MESH]
  • |Plant Leaves/chemistry[MESH]
  • |SARS-CoV-2/*drug effects/enzymology[MESH]
  • |Salicylates/pharmacology/therapeutic use[MESH]


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