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In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.
de Souza Neto LR, Moreira-Filho JT, Neves BJ, Maidana RLBR, Guimarães ACR, Furnham N, Andrade CH, Silva FP Jr. de Souza Neto LR, et al. Among authors: moreira filho jt. Front Chem. 2020 Feb 18;8:93. doi: 10.3389/fchem.2020.00093. eCollection 2020. Front Chem. 2020. PMID: 32133344 Free PMC article. Review.
Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential.
Oliveira EA, Brito IA, Lima ML, Romanelli M, Moreira-Filho JT, Neves BJ, Andrade CH, Sartorelli P, Tempone AG, Costa-Silva TA, Lago JHG. Oliveira EA, et al. J Nat Prod. 2019 May 24;82(5):1177-1182. doi: 10.1021/acs.jnatprod.8b00890. Epub 2019 May 2. J Nat Prod. 2019. PMID: 31046273
Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.
Moreira-Filho JT, Silva AC, Dantas RF, Gomes BF, Souza Neto LR, Brandao-Neto J, Owens RJ, Furnham N, Neves BJ, Silva-Junior FP, Andrade CH. Moreira-Filho JT, et al. Front Immunol. 2021 May 31;12:642383. doi: 10.3389/fimmu.2021.642383. eCollection 2021. Front Immunol. 2021. PMID: 34135888 Free PMC article. Review.
Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.
Mottin M, de Paula Sousa BK, de Moraes Roso Mesquita NC, de Oliveira KIZ, Noske GD, Sartori GR, de Oliveira Albuquerque A, Urbina F, Puhl AC, Moreira-Filho JT, Souza GE, Guido RVC, Muratov E, Neves BJ, Martins da Silva JH, Clark AE, Siqueira-Neto JL, Perryman AL, Oliva G, Ekins S, Andrade CH. Mottin M, et al. Among authors: moreira filho jt. J Chem Inf Model. 2022 Dec 26;62(24):6825-6843. doi: 10.1021/acs.jcim.2c00596. Epub 2022 Oct 14. J Chem Inf Model. 2022. PMID: 36239304 Free PMC article.
Multitask learning-driven identification of novel antitrypanosomal compounds.
Lemos JM, Brito da Silva MF, Dos Santos Carvalho AM, Vicente Gil HP, Fiaia Costa VA, Andrade CH, Braga RC, Grellier P, Muratov EN, Charneau S, Moreira-Filho JT, Dourado Bastos IM, Neves BJ. Lemos JM, et al. Among authors: moreira filho jt. Future Med Chem. 2023 Aug;15(16):1449-1467. doi: 10.4155/fmc-2023-0074. Epub 2023 Sep 13. Future Med Chem. 2023. PMID: 37701989
Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity.
Tomaz KCP, Tavella TA, Borba JVB, Salazar-Alvarez LC, Levandoski JE, Mottin M, Sousa BKP, Moreira-Filho JT, Almeida VM, Clementino LC, Bourgard C, Massirer KB, Couñago RM, Andrade CH, Sunnerhagen P, Bilsland E, Cassiano GC, Costa FTM. Tomaz KCP, et al. Among authors: moreira filho jt. Antimicrob Agents Chemother. 2023 Nov 15;67(11):e0058923. doi: 10.1128/aac.00589-23. Epub 2023 Oct 11. Antimicrob Agents Chemother. 2023. PMID: 37819090 Free PMC article.
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