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Simone Queiroz Pantaleão
Simone Queiroz Pantaleão
E-mail confirmado em ufabc.edu.br
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Recent advances in the prediction of pharmacokinetics properties in drug design studies: a review
SQ Pantaleão, PO Fernandes, JE Gonçalves, VG Maltarollo, KM Honorio
ChemMedChem 17 (1), e202100542, 2022
652022
Structural dynamics of DPP-4 and its influence on the projection of bioactive ligands
SQ Pantaleão, EA Philot, PT de Resende-Lara, AN Lima, D Perahia, ...
Molecules 23 (2), 490, 2018
352018
Molecular docking studies and 2D analyses of DPP-4 inhibitors as candidates in the treatment of diabetes
SQ Pantaleão, VG Maltarollo, SC Araujo, JC Gertrudes, KM Honorio
Molecular BioSystems 11 (11), 3188-3193, 2015
162015
The role of qsar and virtual screening studies in type 2 diabetes drug discovery
SQ Pantaleao, DGV Fujii, VG Maltarollo, D da C Silva, GHG Trossini, ...
Medicinal Chemistry 13 (8), 706-720, 2017
112017
Competition between phenothiazines and BH3 peptide for the binding site of the antiapoptotic BCL-2 protein
AL Do Carmo, F Bettanin, M Oliveira Almeida, SQ Pantaleão, T Rodrigues, ...
Frontiers in chemistry 8, 235, 2020
92020
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling
GC Veríssimo, SQ Pantaleão, PO Fernandes, JC Gertrudes, ...
Journal of Computer-Aided Molecular Design 37 (12), 735-754, 2023
42023
Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methods
P Gasparini, EA Philot, SQ Pantaleão, N Torres-Bonfim, A Kliousoff, ...
Journal of Molecular Graphics and Modelling 121, 108443, 2023
22023
Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor
SQ Pantaleão, LMB Camillo, TC Neves, IG Menezes, LM Stangherlin, ...
Plos one 17 (11), e0277953, 2022
22022
Relationship between hormonal modulation and gastroprotective activity of malvidin and cyanidin chloride: in vivo and in silico approach
ML Zarricueta, FL Fagundes, QC Pereira, SQ Pantaleão, RC Santos
Pharmaceutics 14 (3), 565, 2022
22022
Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors
SQ Pantaleão, EA Philot, H de Paula, MI de Sairre, AN Lima, LM Pires, ...
Biochimie 194, 43-50, 2022
22022
Integrated protocol to design potential inhibitors of dipeptidyl peptidase-4 (DPP-4)
SQ Pantaleão, EA Philot, M de Oliveira Almeida, AN Lima, MI de Sairre, ...
Current Topics in Medicinal Chemistry 20 (3), 209-226, 2020
22020
O Chumbo Como Agente Contaminante Do Meio Ambiente
SQ PANTALEÃO, AAM CHASIN
Revista Acadêmica 1 (1), 12, 2014
22014
The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study
MSM Serafim, SQ Pantaleão, EB da Silva, JH McKerrow, AJ O’Donoghue, ...
Frontiers in Drug Discovery 3, 1237655, 2023
12023
In silico Studies on the Interaction Between Bioactive Ligands and DPPIV: Insights on Potential Candidates for the Treatment of type 2 Diabetes Mellitus
MCMR Martins, SQ Pantaleao, M de Oliveira Almeida, KC Weber, ...
Medicinal Chemistry 17 (3), 247-263, 2021
12021
Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor (vol 17, e0277953, 2022)
SQ Pantaleao, LM Bomediano Camillo, TC Neves, IG Menezes, ...
PLOS ONE 18 (11), 2023
2023
Correction: Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor
SQ Pantaleão, LMB Camillo, TC Neves, IG Menezes, LM Stangherlin, ...
Plos one 18 (11), e0295457, 2023
2023
Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment
RMA Flores, SQ Pantaleão, SC Araujo, HMG Malpartida, KM Honorio
Computational Biology and Chemistry 104, 107869, 2023
2023
Degradação de compostos orgânicos poluentes| b necessária solução para o meio ambiente
AH Bagatelo, RTMP Souza, SC Araújo, SQ Pantaleão, RM Angelo, ...
O que fazem os cientistas: textos de divulgação científica para o ensino e a …, 2022
2022
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