Sub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds
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...
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| Main Authors: | , , , , , , , , |
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| Format: | Book |
| Published: |
MDPI AG,
2021-09-01T00:00:00Z.
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| Online Access: | Connect to this object online. |
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| Summary: | 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<sub>i</sub> = 0.81 μM). Two phenylpropene analogs were also tested: the same effect was observed for estragole with a lower potency (K<sub>i</sub> = 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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| Item Description: | 10.3390/ph14090892 1424-8247 |