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Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors.
Maltarollo VG, da Silva EB, Kronenberger T, Sena Andrade MM, de Lima Marques GV, Cândido Oliveira NJ, Santos LH, Oliveira Rezende Júnior C, Cassiano Martinho AC, Skinner D, Fajtová P, M Fernandes TH, Silveira Dos Santos ED, Rodrigues Gazolla PA, Martins de Souza AP, da Silva ML, Dos Santos FS, Lavorato SN, Oliveira Bretas AC, Carvalho DT, Franco LL, Luedtke S, Giardini MA, Poso A, Dias LC, Podust LM, Alves RJ, McKerrow J, Andrade SF, Teixeira RR, Siqueira-Neto JL, O'Donoghue A, de Oliveira RB, Ferreira RS. Maltarollo VG, et al. Among authors: santos lh. Future Med Chem. 2023 Jun;15(11):959-985. doi: 10.4155/fmc-2023-0034. Epub 2023 Jul 12. Future Med Chem. 2023. PMID: 37435731
Characterization of an Allosteric Pocket in Zika Virus NS2B-NS3 Protease.
Santos NP, Santos LH, Torquato Quezado de Magalhães M, Lei J, Hilgenfeld R, Salgado Ferreira R, Bleicher L. Santos NP, et al. Among authors: santos lh. J Chem Inf Model. 2022 Feb 28;62(4):945-957. doi: 10.1021/acs.jcim.1c01326. Epub 2022 Feb 7. J Chem Inf Model. 2022. PMID: 35128923
BR-bombesin: a novel bombesin-related peptide from the skin secretion of the Chaco tree frog (Boana raniceps) with physiological gastric effects.
de Sousa NA, Marani MM, Lopes ALF, Silva EM, Barbosa EA, Vasconcelos AG, Kuzniewski FTB, Lustosa SS, Gomes KP, Colugnati DB, Rocha JA, Santos LH, Benquerer MP, Quelemes P, Véras L, Moreira DC, Gadelha KKL, Magalhães PJC, Plácido A, Eaton P, Nicolau L, Medeiros JVR, Leite JRSA. de Sousa NA, et al. Among authors: santos lh. Amino Acids. 2022 May;54(5):733-747. doi: 10.1007/s00726-021-03114-4. Epub 2022 Mar 13. Amino Acids. 2022. PMID: 35279763
Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches.
Rocha REO, Mariano DCB, Almeida TS, CorrêaCosta LS, Fischer PHC, Santos LH, Caffarena ER, da Silveira CH, Lamp LM, Fernandez-Quintero ML, Liedl KR, de Melo-Minardi RC, de Lima LHF. Rocha REO, et al. Among authors: santos lh. Proteins. 2023 Feb;91(2):218-236. doi: 10.1002/prot.26424. Epub 2022 Oct 10. Proteins. 2023. PMID: 36114781
165 results