Selected article for: "main protease and vitro activity"
Author: Rizzuti, Bruno; Ceballos-Laita, Laura; Ortega-Alarcon, David; Jimenez-Alesanco, Ana; Vega, Sonia; Grande, Fedora; Conforti, Filomena; Abian, Olga; Velazquez-Campoy, Adrian
Title: Sub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds
  • Cord-id: mpcwwn6b
  • Document date: 2021_9_1
    • ID: mpcwwn6b
    Snippet: Inhibiting the main protease 3CLpro is the most common strategy in the search for antiviral drugs to fight the infection from SARS-CoV-2. We report that the natural compound eugenol is able to hamper in vitro the enzymatic activity of 3CLpro, the SARS-CoV-2 main protease, with an inhibition constant in the sub-micromolar range (K(i) = 0.81 μM). Two phenylpropene analogs were also tested: the same effect was observed for estragole with a lower potency (K(i) = 4.1 μM), whereas anethole was less
    Document: Inhibiting the main protease 3CLpro is the most common strategy in the search for antiviral drugs to fight the infection from SARS-CoV-2. We report that the natural compound eugenol is able to hamper in vitro the enzymatic activity of 3CLpro, the SARS-CoV-2 main protease, with an inhibition constant in the sub-micromolar range (K(i) = 0.81 μM). Two phenylpropene analogs were also tested: the same effect was observed for estragole with a lower potency (K(i) = 4.1 μM), whereas anethole was less active. The binding efficiency index of these compounds is remarkably favorable due also to their small molecular mass (MW < 165 Da). We envision that nanomolar inhibition of 3CLpro is widely accessible within the chemical space of simple natural compounds.

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