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Study on molecular structure, spectroscopic properties (FTIR and UV-Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer.
Almeida MO, Barros DAS, Araujo SC, Faria SHDM, Maltarollo VG, Honorio KM. Almeida MO, et al. Among authors: honorio km. Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 5;184:169-176. doi: 10.1016/j.saa.2017.04.070. Epub 2017 Apr 27. Spectrochim Acta A Mol Biomol Spectrosc. 2017. PMID: 28494379
Molecular description of α-keto-based inhibitors of cruzain with activity against Chagas disease combining 3D-QSAR studies and molecular dynamics.
Saraiva ÁPB, Miranda RM, Valente RPP, Araújo JO, Souza RNB, Costa CHS, Oliveira ARS, Almeida MO, Figueiredo AF, Ferreira JEV, Alves CN, Honorio KM. Saraiva ÁPB, et al. Among authors: honorio km. Chem Biol Drug Des. 2018 Aug;92(2):1475-1487. doi: 10.1111/cbdd.13313. Epub 2018 May 18. Chem Biol Drug Des. 2018. PMID: 29682904
Identification of inhibitors as drug candidates against Chagas disease.
Araujo SC, de Angelo RM, Barbosa H, Costa-Silva TA, Tempone AG, Lago JHG, Honorio KM. Araujo SC, et al. Among authors: honorio km. Eur J Med Chem. 2023 Feb 15;248:115074. doi: 10.1016/j.ejmech.2022.115074. Epub 2022 Dec 31. Eur J Med Chem. 2023. PMID: 36623331
88 results