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10.2217/fvl-2020-0099

http://scihub22266oqcxt.onion/10.2217/fvl-2020-0099
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suck abstract from ncbi


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pmidC7295248
      Future+Virol 2020 ; ä (ä): ä
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  • Possible SARS-coronavirus 2 inhibitor revealed by simulated molecular docking to viral main protease and host toll-like receptor #MMPMIDC7295248
  • Hu X ; Cai X ; Song X ; Li C ; Zhao J ; Luo W ; Zhang Q ; Ekumi IO ; He Z
  • Future Virol 2020[May]; ä (ä): ä PMIDC7295248 show ga
  • Aim: SARS-coronavirus 2 main protease (Mpro) and host toll-like receptors (TLRs) were targeted to screen potential inhibitors among traditional antiviral medicinal plants. Materials & methods: LeDock software was adopted to determine the binding energy between candidate molecules and selected protein pockets. Enrichment analyses were applied to illustrate potential pharmacology networks of active molecules. Results: The citrus flavonoid rutin was identified to fit snugly into the Mpro substrate-binding pocket and to present a strong interaction with TLRs TLR2, TLR6 and TLR7. One-carbon metabolic process and nitrogen metabolism ranked high as potential targets toward rutin. Conclusion: Rutin may influence viral functional protein assembly and host inflammatory suppression. Its affinity for Mpro and TLRs render rutin a potential novel therapeutic anti-coronavirus strategy.
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