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Page 1
Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis.
Ballell L, Bates RH, Young RJ, Alvarez-Gomez D, Alvarez-Ruiz E, Barroso V, Blanco D, Crespo B, Escribano J, González R, Lozano S, Huss S, Santos-Villarejo A, Martín-Plaza JJ, Mendoza A, Rebollo-Lopez MJ, Remuiñan-Blanco M, Lavandera JL, Pérez-Herran E, Gamo-Benito FJ, García-Bustos JF, Barros D, Castro JP, Cammack N. Ballell L, et al. ChemMedChem. 2013 Feb;8(2):313-21. doi: 10.1002/cmdc.201200428. Epub 2013 Jan 10. ChemMedChem. 2013. PMID: 23307663 Free PMC article.
4-Substituted thioquinolines and thiazoloquinolines: potent, selective, and Tween-80 in vitro dependent families of antitubercular agents with moderate in vivo activity.
Escribano J, Rivero-Hernández C, Rivera H, Barros D, Castro-Pichel J, Pérez-Herrán E, Mendoza-Losana A, Angulo-Barturen I, Ferrer-Bazaga S, Jiménez-Navarro E, Ballell L. Escribano J, et al. ChemMedChem. 2011 Dec 9;6(12):2252-63. doi: 10.1002/cmdc.201100309. Epub 2011 Sep 16. ChemMedChem. 2011. PMID: 21922671
Tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide and N-benzyl-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran] analogues with bactericidal efficacy against Mycobacterium tuberculosis targeting MmpL3.
Remuiñán MJ, Pérez-Herrán E, Rullás J, Alemparte C, Martínez-Hoyos M, Dow DJ, Afari J, Mehta N, Esquivias J, Jiménez E, Ortega-Muro F, Fraile-Gabaldón MT, Spivey VL, Loman NJ, Pallen MJ, Constantinidou C, Minick DJ, Cacho M, Rebollo-López MJ, González C, Sousa V, Angulo-Barturen I, Mendoza-Losana A, Barros D, Besra GS, Ballell L, Cammack N. Remuiñán MJ, et al. PLoS One. 2013 Apr 17;8(4):e60933. doi: 10.1371/journal.pone.0060933. Print 2013. PLoS One. 2013. PMID: 23613759 Free PMC article.
Mycobacterium tuberculosis gyrase inhibitors as a new class of antitubercular drugs.
Blanco D, Perez-Herran E, Cacho M, Ballell L, Castro J, González Del Río R, Lavandera JL, Remuiñán MJ, Richards C, Rullas J, Vázquez-Muñiz MJ, Woldu E, Zapatero-González MC, Angulo-Barturen I, Mendoza A, Barros D. Blanco D, et al. Antimicrob Agents Chemother. 2015 Apr;59(4):1868-75. doi: 10.1128/AAC.03913-14. Epub 2015 Jan 12. Antimicrob Agents Chemother. 2015. PMID: 25583730 Free PMC article.
N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity.
Guardia A, Gulten G, Fernandez R, Gómez J, Wang F, Convery M, Blanco D, Martínez M, Pérez-Herrán E, Alonso M, Ortega F, Rullás J, Calvo D, Mata L, Young R, Sacchettini JC, Mendoza-Losana A, Remuiñán M, Ballell Pages L, Castro-Pichel J. Guardia A, et al. ChemMedChem. 2016 Apr 5;11(7):687-701. doi: 10.1002/cmdc.201600020. Epub 2016 Mar 2. ChemMedChem. 2016. PMID: 26934341
Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Martínez-Hoyos M, Perez-Herran E, Gulten G, Encinas L, Álvarez-Gómez D, Alvarez E, Ferrer-Bazaga S, García-Pérez A, Ortega F, Angulo-Barturen I, Rullas-Trincado J, Blanco Ruano D, Torres P, Castañeda P, Huss S, Fernández Menéndez R, González Del Valle S, Ballell L, Barros D, Modha S, Dhar N, Signorino-Gelo F, McKinney JD, García-Bustos JF, Lavandera JL, Sacchettini JC, Jimenez MS, Martín-Casabona N, Castro-Pichel J, Mendoza-Losana A. Martínez-Hoyos M, et al. EBioMedicine. 2016 Jun;8:291-301. doi: 10.1016/j.ebiom.2016.05.006. Epub 2016 May 8. EBioMedicine. 2016. PMID: 27428438 Free PMC article.
GSK2556286 Is a Novel Antitubercular Drug Candidate Effective In Vivo with the Potential To Shorten Tuberculosis Treatment.
Nuermberger EL, Martínez-Martínez MS, Sanz O, Urones B, Esquivias J, Soni H, Tasneen R, Tyagi S, Li SY, Converse PJ, Boshoff HI, Robertson GT, Besra GS, Abrahams KA, Upton AM, Mdluli K, Boyle GW, Turner S, Fotouhi N, Cammack NC, Siles JM, Alonso M, Escribano J, Lelievre J, Rullas-Trincado J, Pérez-Herrán E, Bates RH, Maher-Edwards G, Barros D, Ballell L, Jiménez E. Nuermberger EL, et al. Among authors: perez herran e. Antimicrob Agents Chemother. 2022 Jun 21;66(6):e0013222. doi: 10.1128/aac.00132-22. Epub 2022 May 24. Antimicrob Agents Chemother. 2022. PMID: 35607978 Free PMC article.
Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA.
Encinas L, O'Keefe H, Neu M, Remuiñán MJ, Patel AM, Guardia A, Davie CP, Pérez-Macías N, Yang H, Convery MA, Messer JA, Pérez-Herrán E, Centrella PA, Alvarez-Gómez D, Clark MA, Huss S, O'Donovan GK, Ortega-Muro F, McDowell W, Castañeda P, Arico-Muendel CC, Pajk S, Rullás J, Angulo-Barturen I, Alvarez-Ruíz E, Mendoza-Losana A, Ballell Pages L, Castro-Pichel J, Evindar G. Encinas L, et al. J Med Chem. 2014 Feb 27;57(4):1276-88. doi: 10.1021/jm401326j. Epub 2014 Feb 5. J Med Chem. 2014. PMID: 24450589
New direct inhibitors of InhA with antimycobacterial activity based on a tetrahydropyran scaffold.
Pajk S, Živec M, Šink R, Sosič I, Neu M, Chung CW, Martínez-Hoyos M, Pérez-Herrán E, Álvarez-Gómez D, Álvarez-Ruíz E, Mendoza-Losana A, Castro-Pichel J, Barros D, Ballell-Pages L, Young RJ, Convery MA, Encinas L, Gobec S. Pajk S, et al. Eur J Med Chem. 2016 Apr 13;112:252-257. doi: 10.1016/j.ejmech.2016.02.008. Epub 2016 Feb 8. Eur J Med Chem. 2016. PMID: 26900657
27 results