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QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.
Melo-Filho CC, Dantas RF, Braga RC, Neves BJ, Senger MR, Valente WC, Rezende-Neto JM, Chaves WT, Muratov EN, Paveley RA, Furnham N, Kamentsky L, Carpenter AE, Silva-Junior FP, Andrade CH. Melo-Filho CC, et al. Among authors: senger mr. J Chem Inf Model. 2016 Jul 25;56(7):1357-72. doi: 10.1021/acs.jcim.6b00055. Epub 2016 Jun 16. J Chem Inf Model. 2016. PMID: 27253773 Free PMC article.
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.
Neves BJ, Dantas RF, Senger MR, Melo-Filho CC, Valente WC, de Almeida AC, Rezende-Neto JM, Lima EF, Paveley R, Furnham N, Muratov E, Kamentsky L, Carpenter AE, Braga RC, Silva-Junior FP, Andrade CH. Neves BJ, et al. Among authors: senger mr. J Med Chem. 2016 Aug 11;59(15):7075-88. doi: 10.1021/acs.jmedchem.5b02038. Epub 2016 Jul 22. J Med Chem. 2016. PMID: 27396732 Free PMC article.
Efficient identification of novel anti-glioma lead compounds by machine learning models.
Neves BJ, Agnes JP, Gomes MDN, Henriques Donza MR, Gonçalves RM, Delgobo M, Ribeiro de Souza Neto L, Senger MR, Silva-Junior FP, Ferreira SB, Zanotto-Filho A, Andrade CH. Neves BJ, et al. Among authors: senger mr. Eur J Med Chem. 2020 Mar 1;189:111981. doi: 10.1016/j.ejmech.2019.111981. Epub 2019 Dec 19. Eur J Med Chem. 2020. PMID: 31978780
Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling.
Lopes JPB, Silva L, Ceschi MA, Lüdtke DS, Zimmer AR, Ruaro TC, Dantas RF, de Salles CMC, Silva-Jr FP, Senger MR, Barbosa G, Lima LM, Guedes IA, Dardenne LE. Lopes JPB, et al. Among authors: senger mr. Medchemcomm. 2019 Nov 8;10(12):2089-2101. doi: 10.1039/c9md00358d. eCollection 2019 Dec 1. Medchemcomm. 2019. PMID: 32904099 Free PMC article.
COVID-19: molecular targets, drug repurposing and new avenues for drug discovery.
Senger MR, Evangelista TCS, Dantas RF, Santana MVDS, Gonçalves LCS, de Souza Neto LR, Ferreira SB, Silva-Junior FP. Senger MR, et al. Mem Inst Oswaldo Cruz. 2020 Oct 2;115:e200254. doi: 10.1590/0074-02760200254. eCollection 2020. Mem Inst Oswaldo Cruz. 2020. PMID: 33027420 Free PMC article.
AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity In Vitro.
Saramago LC, Santana MV, Gomes BF, Dantas RF, Senger MR, Oliveira Borges PH, Ferreira VNDS, Dos Santos Rosa A, Tucci AR, Dias Miranda M, Lukacik P, Strain-Damerell C, Owen CD, Walsh MA, Ferreira SB, Silva-Junior FP. Saramago LC, et al. Among authors: senger mr. J Chem Inf Model. 2023 May 8;63(9):2866-2880. doi: 10.1021/acs.jcim.3c00409. Epub 2023 Apr 14. J Chem Inf Model. 2023. PMID: 37058135
36 results