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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 Jul 03; 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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Structure- and Ligand-Based Discovery of Novel 3-Chymotrypsin-Like Protease Nonpeptidomimetic Hits. ChemMedChem. 2026 Apr 14; 21(7):e202501083.
Silva-Mendonça S, Seanego D, Jurisch C, Mottin M, Nader Motta F, S A Rodrigues B, S M Junior G, Dos Santos Carvalho AM, Muniz de Oliveira F, Sigurdardóttir S, Sunnerhagen P, Marques Dourado Bastos I, Gessner R, Chibale K, Horta Andrade C. PMID: 41957532; PMCID: PMC13065885.
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HumansCells
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Enhanced Antiviral Activity of Novel Umifenovir Derivatives against SARS-CoV-2: Insights from an International Collaborative Study. ACS Omega. 2026 Apr 21; 11(15):23109-23124.
Mottin M, Jurisch CD, Silva-Mendonça S, Seanego D, Ramos PRPDS, Freitas CS, Mattos M, Fintelman-Rodrigues N, Sacramento CQ, Guivel-Benhassine F, Bruel T, Krugmann L, Puhl AC, Urbina F, Lane TR, Merten EM, Pearce KH, Lepioshkin A, Poromov A, Monakhova N, Schwartz O, Chibale K, Souza TML, Ekins S, Makarov V, Gessner RK, Andrade CH. PMID: 42040449; PMCID: PMC13103833.
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Discovery of Non-Covalent Inhibitors for SARS-CoV-2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation. ACS Med Chem Lett. 2024 Dec 12; 15(12):2140-2149.
Sousa BKP, Mottin M, Seanego D, Jurisch CD, Rodrigues BSA, da Silva VLS, Andrade MA, Morais GS, Boerin DF, Froes TQ, Motta FN, Nonato MC, Bastos IDM, Chibale K, Gessner RK, Andrade CH. PMID: 39691531; PMCID: PMC11647681.
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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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4 Fields:
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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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HumansAnimalsCells
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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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32 Fields:
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HumansAnimalsCells
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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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AnimalsCells
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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