Search Results - "Simone Queiroz Pantaleão"

Relationship between Hormonal Modulation and Gastroprotective Activity of Malvidin and Cyanidin Chloride: In Vivo and In Silico Approach by Zarricueta, Melina Luzzi, Fagundes, Felipe Leonardo, Pereira, Quélita Cristina, Pantaleão, Simone Queiroz, Santos, Raquel de Cássia Dos

“…Peptic ulcers are lesions that affect the gastrointestinal tract and that can be triggered by external factors such as alcohol use. This study investigated the…”
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Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein by do Carmo, Aline Lagoeiro, Bettanin, Fernanda, Oliveira Almeida, Michell, Pantaleão, Simone Queiroz, Rodrigues, Tiago, Homem-de-Mello, Paula, Honorio, Kathia Maria

“…The study of proteins and mechanisms involved in the apoptosis and new knowledge about cancer's biology are essential for planning new drugs. Tumor cells…”
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Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment by Flores, Robert Malory Alarcon, Pantaleão, Simone Queiroz, Araujo, Sheila Cruz, Malpartida, Humberto Miguel Garay, Honorio, Kathia Maria

“…FAM3 is a superfamily of four cytokines that maintain a single globular structure β −β −α of three classes: FAM3A, B, C and D. FAM3C was the first member of…”
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MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling by Veríssimo, Gabriel Corrêa, Pantaleão, Simone Queiroz, Fernandes, Philipe de Olveira, Gertrudes, Jadson Castro, Kronenberger, Thales, Honorio, Kathia Maria, Maltarollo, Vinícius Gonçalves

“…QSAR models capable of predicting biological, toxicity, and pharmacokinetic properties were widely used to search lead bioactive molecules in chemical…”
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Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors by Pantaleão, Simone Queiroz, Philot, Eric Allison, de Paula, Heberth, Inês de Sairre, Mirela, Lima, Angelica Nakagawa, Pires, Loren Monielly, Alves dos Santos, Raquel, Scott, Ana Ligia, Honorio, Kathia Maria

“…Diabetes is a metabolic disorder that presents hyperglycemia and vascular complications due to the non-production of insulin or its inappropriate use by the…”
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Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor by Simone Queiroz Pantaleão, Lívia de Moraes Bomediano Camillo, Tainan Cerqueira Neves, Isabela de Godoy Menezes, Lucas Matheus Stangherlin, Helena Beatriz de Carvalho Ruthner Batista, Emma Poole, Michael Nevels, Eric Alisson Philot, Ana Ligia Scott, Maria Cristina Carlan da Silva

“…The human cytomegalovirus (HCMV) UL111A gene encodes several homologs of the cellular interleukin 10 (cIL-10). Alternative splicing in the UL111A region…”
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Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor by Pantaleão, Simone Queiroz, Camillo, Lívia de Moraes Bomediano, Neves, Tainan Cerqueira, Menezes, Isabela de Godoy, Stangherlin, Lucas Matheus, Batista, Helena Beatriz de Carvalho Ruthner, Poole, Emma, Nevels, Michael, Philot, Eric Alisson, Scott, Ana Ligia, Carlan da Silva, Maria Cristina

“…The human cytomegalovirus (HCMV) UL111A gene encodes several homologs of the cellular interleukin 10 (cIL-10). Alternative splicing in the UL111A region…”
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Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands by Pantaleão, Simone Queiroz, Philot, Eric Allison, de Resende-Lara, Pedro Túlio, Lima, Angélica Nakagawa, Perahia, David, Miteva, Maria Atanassova, Scott, Ana Ligia, Honorio, Kathia Maria

“…Dipeptidyl peptidase-4 (DPP-4) is a target to treat type II diabetes mellitus. Therefore, it is important to understand the structural aspects of this enzyme…”
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The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study by Serafim, Mateus Sá Magalhães, Pantaleão, Simone Queiroz, da Silva, Elany Barbosa, McKerrow, James H., O’Donoghue, Anthony J., Mota, Bruno Eduardo Fernandes, Honorio, Kathia Maria, Maltarollo, Vinícius Gonçalves

“…Computer-Aided Drug Design (CADD) approaches, such as those employing quantitative structure-activity relationship (QSAR) methods, are known for their ability…”
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Molecular docking studies and 2D analyses of DPP-4 inhibitors as candidates in the treatment of diabetes by Pantaleão, Simone Queiroz, Maltarollo, Vinicius Gonçalves, Araujo, Sheila Cruz, Gertrudes, Jadson Castro, Honorio, Kathia Maria

“…Dipeptidyl peptidase-4 (DPP-4) is an important biological target related to the treatment of diabetes as DPP-4 inhibitors can lead to an increase in the…”
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Correction: Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor by Pantaleão, Simone Queiroz, Camillo, Lívia de Moraes Bomediano, Neves, Tainan Cerqueira, Menezes, Isabela de Godoy, Stangherlin, Lucas Matheus, Batista, Helena Beatriz de Carvalho Ruthner, Poole, Emma, Nevels, Michael, Philot, Eric Allison, Scott, Ana Ligia, da Silva, Maria Cristina Carlan

“…[This corrects the article DOI: 10.1371/journal.pone.0277953.]…”
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Correction: Molecular modelling of the HCMV IL-10 protein isoforms and analysis of their interaction with the human IL-10 receptor by Simone Queiroz Pantaleão, Lívia de Moraes Bomediano Camillo, Tainan Cerqueira Neves, Isabela de Godoy Menezes, Lucas Matheus Stangherlin, Helena Beatriz de Carvalho Ruthner Batista, Emma Poole, Michael Nevels, Eric Allison Philot, Ana Ligia Scott, Maria Cristina Carlan da Silva

“…[This corrects the article DOI: 10.1371/journal.pone.0277953.]…”
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