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Discovering NDM-1 inhibitors using molecular substructure embeddings representations.
Papastergiou T, Azé J, Bringay S, Louet M, Poncelet P, Rosales-Hurtado M, Vo-Hoang Y, Licznar-Fajardo P, Docquier JD, Gavara L. Papastergiou T, et al. Among authors: docquier jd. J Integr Bioinform. 2023 Jul 28;20(2):20220050. doi: 10.1515/jib-2022-0050. eCollection 2023 Jun 1. J Integr Bioinform. 2023. PMID: 37498676 Free PMC article.
Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-β-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
Legru A, Verdirosa F, Vo-Hoang Y, Tassone G, Vascon F, Thomas CA, Sannio F, Corsica G, Benvenuti M, Feller G, Coulon R, Marcoccia F, Devente SR, Bouajila E, Piveteau C, Leroux F, Deprez-Poulain R, Deprez B, Licznar-Fajardo P, Crowder MW, Cendron L, Pozzi C, Mangani S, Docquier JD, Hernandez JF, Gavara L. Legru A, et al. Among authors: docquier jd. J Med Chem. 2022 Dec 22;65(24):16392-16419. doi: 10.1021/acs.jmedchem.2c01257. Epub 2022 Nov 30. J Med Chem. 2022. PMID: 36450011 Free article.
1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-β-Lactamase Inhibitors.
Verdirosa F, Gavara L, Sevaille L, Tassone G, Corsica G, Legru A, Feller G, Chelini G, Mercuri PS, Tanfoni S, Sannio F, Benvenuti M, Cerboni G, De Luca F, Bouajila E, Vo Hoang Y, Licznar-Fajardo P, Galleni M, Pozzi C, Mangani S, Docquier JD, Hernandez JF. Verdirosa F, et al. Among authors: docquier jd. ChemMedChem. 2022 Apr 5;17(7):e202100699. doi: 10.1002/cmdc.202100699. Epub 2022 Feb 4. ChemMedChem. 2022. PMID: 35050549
1,2,4-Triazole-3-thione analogues with an arylakyl group at position 4 as metallo-β-lactamase inhibitors.
Gavara L, Verdirosa F, Sevaille L, Legru A, Corsica G, Nauton L, Sandra Mercuri P, Sannio F, De Luca F, Hadjadj M, Cerboni G, Vo Hoang Y, Licznar-Fajardo P, Galleni M, Docquier JD, Hernandez JF. Gavara L, et al. Among authors: docquier jd. Bioorg Med Chem. 2022 Oct 15;72:116964. doi: 10.1016/j.bmc.2022.116964. Epub 2022 Aug 11. Bioorg Med Chem. 2022. PMID: 36030663 Free article.
1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-β-lactamase inhibitors with re-sensitization activity.
Legru A, Verdirosa F, Hernandez JF, Tassone G, Sannio F, Benvenuti M, Conde PA, Bossis G, Thomas CA, Crowder MW, Dillenberger M, Becker K, Pozzi C, Mangani S, Docquier JD, Gavara L. Legru A, et al. Among authors: docquier jd. Eur J Med Chem. 2021 Dec 15;226:113873. doi: 10.1016/j.ejmech.2021.113873. Epub 2021 Oct 4. Eur J Med Chem. 2021. PMID: 34626878
4-(N-Alkyl- and -Acyl-amino)-1,2,4-triazole-3-thione Analogs as Metallo-β-Lactamase Inhibitors: Impact of 4-Linker on Potency and Spectrum of Inhibition.
Gavara L, Verdirosa F, Legru A, Mercuri PS, Nauton L, Sevaille L, Feller G, Berthomieu D, Sannio F, Marcoccia F, Tanfoni S, De Luca F, Gresh N, Galleni M, Docquier JD, Hernandez JF. Gavara L, et al. Among authors: docquier jd. Biomolecules. 2020 Jul 23;10(8):1094. doi: 10.3390/biom10081094. Biomolecules. 2020. PMID: 32717907 Free PMC article.
4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors.
Gavara L, Legru A, Verdirosa F, Sevaille L, Nauton L, Corsica G, Mercuri PS, Sannio F, Feller G, Coulon R, De Luca F, Cerboni G, Tanfoni S, Chelini G, Galleni M, Docquier JD, Hernandez JF. Gavara L, et al. Among authors: docquier jd. Bioorg Chem. 2021 Aug;113:105024. doi: 10.1016/j.bioorg.2021.105024. Epub 2021 May 26. Bioorg Chem. 2021. PMID: 34116340
1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-β-lactamases.
Sevaille L, Gavara L, Bebrone C, De Luca F, Nauton L, Achard M, Mercuri P, Tanfoni S, Borgianni L, Guyon C, Lonjon P, Turan-Zitouni G, Dzieciolowski J, Becker K, Bénard L, Condon C, Maillard L, Martinez J, Frère JM, Dideberg O, Galleni M, Docquier JD, Hernandez JF. Sevaille L, et al. Among authors: docquier jd. ChemMedChem. 2017 Jun 21;12(12):972-985. doi: 10.1002/cmdc.201700186. Epub 2017 Jun 12. ChemMedChem. 2017. PMID: 28505394 Free article.
119 results