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Targeting HsDHODH: Shape and machine-learning guided discovery and structural validation of SARS-CoV-2 antivirals. Eur J Med Chem. 2026 Nov 05; 317:119123.
Cruz LV, Silva-Mendonça S, da Purificação AD, Mottin M, Arbeláez M, Freitas CS, Fintelman-Rodrigues N, Mattos M, Froes TQ, Jurisch CD, Seanego D, Boyle GA, Campos FFGR, Souza TML, Gessner RK, Chibale K, Nonato MC, Andrade CH. PMID: 42435557.
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Synthesis and biological evaluation of aryl-oxadiazoles as inhibitors of Mycobacterium tuberculosis. Bioorg Med Chem Lett. 2018 06 01; 28(10):1758-1764.
Martinez-Grau MA, Valcarcel ICG, Early JV, Gessner RK, de Melo CS, de la Nava EMM, Korkegian A, Ovechkina Y, Flint L, Gravelle A, Cramer JW, Desai PV, Street LJ, Odingo J, Masquelin T, Chibale K, Parish T. PMID: 29680666; PMCID: PMC5946847.
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Cells
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Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem. 2017 12 28; 60(24):10118-10134.
Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K. PMID: 29148755; PMCID: PMC5748279.
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9 Fields:
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Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration. J Med Chem. 2015 Dec 10; 58(23):9371-81.
van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner RK, Soares de Melo C, Taylor D, de Kock C, Njoroge M, Brunschwig C, Lawrence N, Rao SP, Sirgel F, van Helden P, Seldon R, Moosa A, Warner DF, Arista L, Manjunatha UH, Smith PW, Street LJ, Chibale K. PMID: 26551248.
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Aminopyrazolo[1,5-a]pyrimidines as potential inhibitors of Mycobacterium tuberculosis: Structure activity relationships and ADME characterization. Bioorg Med Chem. 2015 Nov 15; 23(22):7240-50.
Soares de Melo C, Candice Sde M, Feng TS, van der Westhuyzen R, Gessner RK, Street LJ, Morgans GL, Warner DF, Moosa A, Naran K, Lawrence N, Boshoff HI, Barry CE, Harris CJ, Gordon R, Chibale K. PMID: 26522089.
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19 Fields:
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Antimalarial pyrido[1,2-a]benzimidazoles. J Med Chem. 2011 Jul 14; 54(13):4581-9.
Ndakala AJ, Gessner RK, Gitari PW, October N, White KL, Hudson A, Fakorede F, Shackleford DM, Kaiser M, Yeates C, Charman SA, Chibale K. PMID: 21644541.
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12 Fields:
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HumansAnimalsCells