Search Results - "Philot, Eric Allison"

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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Methyl divanillate: redox properties and binding affinity with albumin of an antioxidant and potential NADPH oxidase inhibitor by de Vasconcelos, Debora Naliati, Lima, Angélica Nakagawa, Philot, Eric Allison, Scott, Ana Lígia, Ferreira Boza, Izabelle Amorim, de Souza, Aguinaldo Robinson, Morgon, Nelson Henrique, Ximenes, Valdecir Farias

“…Vanillic acid is a widely used food additive (flavouring agent, JECFA number: 959) with many reported beneficial biological effects. The same is true for its…”
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Use of machine learning approaches for novel drug discovery by Lima, Angélica Nakagawa, Philot, Eric Allison, Trossini, Gustavo Henrique Goulart, Scott, Luis Paulo Barbour, Maltarollo, Vinícius Gonçalves, Honorio, Kathia Maria

“…The use of computational tools in the early stages of drug development has increased in recent decades. Machine learning (ML) approaches have been of special…”
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Predicting regions prone to protein aggregation based on SVM algorithm by Moreira, Carlos Alves, Philot, Eric Allison, Lima, Angélica Nakagawa, Scott, Ana Ligia

“…The phenomenon of protein aggregation has been associated with several neurodegenerative diseases, such as Parkinson's and Alzheimer's. Computational tools…”
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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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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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Interaction between 1-pyrenesulfonic acid and albumin: Moving inside the protein by Bertozo, Luiza de Carvalho, Philot, Eric Allison, Lima, Angélica Nakagawa, de Resende Lara, Pedro Túlio, Scott, Ana Lígia, Ximenes, Valdecir Farias

“…Due to the high sensitivity to alterations in microenvironment polarity of macromolecules, pyrene and its derivatives have long been applied in biosciences…”
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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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Binding sites and hydrophobic pockets in Human Thioredoxin 1 determined by normal mode analysis by Philot, Eric Allison, Perahia, David, Braz, Antônio Sérgio Kimus, Costa, Mauricio Garcia de Souza, Scott, Luis Paulo Barbour

“…The Thioredoxin (Trx) system plays important roles in several diseases (e.g. cancer, viral infections, cardiovascular and neurodegenerative diseases)…”
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Binding of phenothiazines into allosteric hydrophobic pocket of human thioredoxin 1 by Philot, Eric Allison, da Mata Lopes, David, de Souza, Aryane Tofanello, Braz, Antônio Sérgio Kimus, Nantes, Iseli Lourenço, Rodrigues, Tiago, Perahia, David, Miteva, Maria A., Scott, Luis Paulo Barbour

“…Thioredoxins are multifunctional oxidoreductase proteins implicated in the antioxidant cellular apparatus and oxidative stress. They are involved in several…”
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GANM: A protein–ligand docking approach based on genetic algorithm and normal modes by Lima, Angélica Nakagawa, Philot, Eric Allison, Perahia, David, Braz, Antonio Sérgio Kimus, Scott, Luis P.B.

“…We describe a new method and a software, called GANM (Genetic Algorithm with Normal Modes), that combines genetic algorithm and normal mode analysis in order…”
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