151169 20251017144609.0 doi 10.3390/ph14090892 sideral 125275 ART-2021-125275 eng Rizzuti, Bruno Sub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds 2021 Access copy available to the general public Unrestricted 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 (Ki = 0.81 \u03bcM). Two phenylpropene analogs were also tested: the same effect was observed for estragole with a lower potency (Ki = 4.1 \u03bcM), 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. info:eu-repo/grantAgreement/ES/DGA/B25-20R info:eu-repo/grantAgreement/ES/DGA/E45-20R info:eu-repo/grantAgreement/ES/ISCIII/CPII13-00017 info:eu-repo/grantAgreement/ES/ISCIII-ERDF-ESF/PI18-00349-Investing in your future info:eu-repo/grantAgreement/ES/MCIU-AEI-FEDER/BES-2017-080739 info:eu-repo/grantAgreement/ES/MCIU-AEI-FEDER/BFU2016-78232-P info:eu-repo/semantics/openAccess by https://creativecommons.org/licenses/by/4.0/deed.es 5.215 2021 PHARMACOLOGY & PHARMACY 69 / 279 = 0.247 2021 Q1 T1 CHEMISTRY, MEDICINAL 16 / 63 = 0.254 2021 Q2 T1 0.851 2021 Pharmaceutical Science 2021 Q1 Drug Discovery 2021 Q1 4.0 2021 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Ceballos-Laita, Laura (orcid)0000-0003-1892-5063 Ortega-Alarcon, David Universidad de Zaragoza (orcid)0000-0003-1885-4365 Jimenez-Alesanco, Ana Universidad de Zaragoza (orcid)0000-0003-4726-7821 Vega, Sonia (orcid)0000-0002-1232-6310 Grande, Fedora Conforti, Filomena Abian, Olga Universidad de Zaragoza (orcid)0000-0001-5664-1729 Velazquez-Campoy, Adrian Universidad de Zaragoza (orcid)0000-0001-5702-4538 1002 060 Universidad de Zaragoza Dpto. Bioq.Biolog.Mol. Celular Área Bioquímica y Biolog.Mole. 14, 9 (2021), 892 [10 pp.] Pharmaceuticals Pharmaceuticals 1424-8247 1962747 http://zaguan.unizar.es/record/151169/files/texto_completo.pdf Versión publicada 2667877 http://zaguan.unizar.es/record/151169/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:151169 articulos driver 2025-10-17-14:16:36 ARTICLE