000151169 001__ 151169
000151169 005__ 20251017144609.0
000151169 0247_ $$2doi$$a10.3390/ph14090892
000151169 0248_ $$2sideral$$a125275
000151169 037__ $$aART-2021-125275
000151169 041__ $$aeng
000151169 100__ $$aRizzuti, Bruno
000151169 245__ $$aSub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds
000151169 260__ $$c2021
000151169 5060_ $$aAccess copy available to the general public$$fUnrestricted
000151169 5203_ $$aInhibiting 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.
000151169 536__ $$9info:eu-repo/grantAgreement/ES/DGA/B25-20R$$9info:eu-repo/grantAgreement/ES/DGA/E45-20R$$9info:eu-repo/grantAgreement/ES/ISCIII/CPII13-00017$$9info:eu-repo/grantAgreement/ES/ISCIII-ERDF-ESF/PI18-00349-Investing in your future$$9info:eu-repo/grantAgreement/ES/MCIU-AEI-FEDER/BES-2017-080739$$9info:eu-repo/grantAgreement/ES/MCIU-AEI-FEDER/BFU2016-78232-P
000151169 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttps://creativecommons.org/licenses/by/4.0/deed.es
000151169 590__ $$a5.215$$b2021
000151169 591__ $$aPHARMACOLOGY & PHARMACY$$b69 / 279 = 0.247$$c2021$$dQ1$$eT1
000151169 591__ $$aCHEMISTRY, MEDICINAL$$b16 / 63 = 0.254$$c2021$$dQ2$$eT1
000151169 592__ $$a0.851$$b2021
000151169 593__ $$aPharmaceutical Science$$c2021$$dQ1
000151169 593__ $$aDrug Discovery$$c2021$$dQ1
000151169 594__ $$a4.0$$b2021
000151169 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000151169 700__ $$0(orcid)0000-0003-1892-5063$$aCeballos-Laita, Laura
000151169 700__ $$0(orcid)0000-0003-1885-4365$$aOrtega-Alarcon, David$$uUniversidad de Zaragoza
000151169 700__ $$0(orcid)0000-0003-4726-7821$$aJimenez-Alesanco, Ana$$uUniversidad de Zaragoza
000151169 700__ $$0(orcid)0000-0002-1232-6310$$aVega, Sonia
000151169 700__ $$aGrande, Fedora
000151169 700__ $$aConforti, Filomena
000151169 700__ $$0(orcid)0000-0001-5664-1729$$aAbian, Olga$$uUniversidad de Zaragoza
000151169 700__ $$0(orcid)0000-0001-5702-4538$$aVelazquez-Campoy, Adrian$$uUniversidad de Zaragoza
000151169 7102_ $$11002$$2060$$aUniversidad de Zaragoza$$bDpto. Bioq.Biolog.Mol. Celular$$cÁrea Bioquímica y Biolog.Mole.
000151169 773__ $$g14, 9 (2021), 892 [10 pp.]$$pPharmaceuticals$$tPharmaceuticals$$x1424-8247
000151169 8564_ $$s1962747$$uhttps://zaguan.unizar.es/record/151169/files/texto_completo.pdf$$yVersión publicada
000151169 8564_ $$s2667877$$uhttps://zaguan.unizar.es/record/151169/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000151169 909CO $$ooai:zaguan.unizar.es:151169$$particulos$$pdriver
000151169 951__ $$a2025-10-17-14:16:36
000151169 980__ $$aARTICLE