Publications by authors named "Alex Gutterres Taranto"

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Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening.
Géssica Oliveira Mendes, Moysés Fagundes de Araújo Neto, Deyse Brito Barbosa, Mayra Ramos do Bomfim, Lorena Silva Matos Andrade, Alex Gutterres Taranto

Pharmaceuticals (Basel)· November 2023

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Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamics.
Mayra Ramos do Bomfim, Deyse Brito Barbosa, Paulo Batista de Carvalho, Alisson Marques da Silva, Tiago Alves de Oliveira, Alex Gutterres Taranto

J Biomol Struct Dyn· July 2023

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Molecular Multi-Target Approach for Human Acetylcholinesterase, Butyrylcholinesterase and -Secretase 1: Next Generation for Alzheimer's Disease Treatment.
Géssica Oliveira Mendes, Samuel Silva da Rocha Pita, Paulo Batista de Carvalho, Michel Pires da Silva, Alex Gutterres Taranto

Pharmaceuticals (Basel)· June 2023

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Rational-Based Discovery of Novel β-Carboline Derivatives as Potential Antimalarials: From In Silico Identification of Novel Targets to Inhibition of Experimental Cerebral Malaria.
Fernanda de Moura Alves, Jessica Correa Bezerra Bellei, Camila de Souza Barbosa, Caíque Lopes Duarte, Amanda Luisa da Fonseca, Alex Gutterres Taranto

Pathogens· December 2022

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A novel antiplasmodial compound: integration of and assays.
David Bacelar Costa Júnior, Janay Stefany Carneiro Araújo, Larissa de Mattos Oliveira, Flávio Simas Moreira Neri, Paulo Otávio Lourenço Moreira, Alex Gutterres Taranto

J Biomol Struct Dyn· September 2022

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Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.
Tiago Alves de Oliveira, Lucas Rolim Medaglia, Eduardo Habib Bechelane Maia, Letícia Cristina Assis, Paulo Batista de Carvalho, Alex Gutterres Taranto

Pharmaceuticals (Basel)· January 2022

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Identification of novel antiplasmodial compound by hierarquical virtual screening and assays.
David Bacelar Costa Júnior, Janay Stefany Carneiro Araújo, Larissa de Mattos Oliveira, Flávio Simas Moreira Neri, Paulo Otávio Lourenço Moreira, Alex Gutterres Taranto

J Biomol Struct Dyn· June 2021

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Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study.
Dong Wang, Nianhang Chen, Alex Gutterres Taranto, Yuting Jin, Congcong Wen

Bioorg Chem· January 2021

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Reverse and structural vaccinology approach to design a highly immunogenic multi-epitope subunit vaccine against Streptococcus pneumoniae infection.
Lohany Dias Mamede, Keila Gonçalves de Paula, Bianca de Oliveira, Janete Soares Coelho Dos Santos, Lucas Maciel Cunha, Alex Gutterres Taranto

Infect Genet Evol· November 2020

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Structure-Based Virtual Screening: From Classical to Artificial Intelligence.
Eduardo Habib Bechelane Maia, Letícia Cristina Assis, Tiago Alves de Oliveira, Alisson Marques da Silva, Alex Gutterres Taranto

Front Chem· April 2020

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Identification of a Potential Zika Virus Inhibitor Targeting NS5 Methyltransferase Using Virtual Screening and Molecular Dynamics Simulations.
Felipe R S Santos, William G Lima, Eduardo H B Maia, Letícia C Assis, Danilo Davyt, Alex Gutterres Taranto

J Chem Inf Model· February 2020

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Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.
Renata Rachide Nunes, Amanda Luisa da Fonseca, Ana Claudia de Souza Pinto, Eduardo Habib Bechelane Maia, Alisson Marques da Silva, Alex Gutterres Taranto

Mem Inst Oswaldo Cruz· February 2019

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Methyl Chavicol and Its Synthetic Analogue as Possible Antioxidant and Antilipase Agents Based on the and In Silico Assays.
Bruna Celeida Silva Santos, Andressa Soares Pires, Célia Hitomi Yamamoto, Mara Rubia Costa Couri, Alex Gutterres Taranto

Oxid Med Cell Longev· October 2018

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Pharmacophoric characteristics of dengue virus NS2B/NS3pro inhibitors: a systematic review of the most promising compounds.
Camyla Alves Leonel, William Gustavo Lima, Michelli Dos Santos, Ariane Coelho Ferraz, Alex Gutterres Taranto

Arch Virol· March 2018

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Synthesis, SAR, and Docking Studies Disclose 2-Arylfuran-1,4-naphthoquinones as Antiplasmodial Hits.
Tatiane Freitas Borgati, Maria Fernanda Alves do Nascimento, Juma Fortunato Bernardino, Lunamaura Claudia Oliveira Martins, Alex Gutterres Taranto

J Trop Med· October 2017

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Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies.
Alex Gutterres Taranto, Sônia Carine Cova Costa, Franco Henrique Andrade Leite, Matheus Santos de Sá, Milena Botelho Pereira Soares

Nat Prod Res· March 2017

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Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.
Eduardo Habib Bechelane Maia, Vinícius Alves Campos, Bianca Dos Reis Santos, Marina Santos Costa, Iann Gabriel Lima, Alex Gutterres Taranto

J Mol Model· January 2017

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Larvicidal activity of essential oil of Peumus boldus Molina and its ascaridole-enriched fraction against Culex quinquefasciatus.
Débora Silva Borges de Castro, Denise Brentan da Silva, Jacqueline Domingues Tibúrcio, Marcos Eduardo Guerra Sobral, Vany Ferraz, Alex Gutterres Taranto

Exp Parasitol· December 2016

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Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets.
Renata Rachide Nunes, Marina Dos Santos Costa, Bianca Dos Reis Santos, Amanda Luisa da Fonseca, Lorena Sales Ferreira, Alex Gutterres Taranto

Mem Inst Oswaldo Cruz· December 2016

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In silico studies of the interaction between BRN2 protein and MORE DNA.
Ivan Evangelista do Vale Coelho, Denise Costa Arruda, Alex Gutterres Taranto

J Mol Model· September 2016

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Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).
Amanda Luisa da Fonseca, Renata Rachide Nunes, Vanildo Martins Lima Braga, Moacyr Comar, Ricardo José Alves, Alex Gutterres Taranto

J Mol Graph Model· May 2016

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Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca²⁺-ATPase PfATP6.
Daniel Silqueira Martins Guimarães, Amanda Luisa da Fonseca, Ronan Batista, Moacyr Comar Junior, Alaíde Braga de Oliveira, Alex Gutterres Taranto

Mem Inst Oswaldo Cruz· April 2015

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Dengue outbreaks in Divinopolis, south-eastern Brazil and the geographic and climatic distribution of Aedes albopictus and Aedes aegypti in 2011-2012.
Martinelle Ferreira da Rocha Taranto, José Eduardo Marques Pessanha, Michelli dos Santos, Ana Cláudia dos Santos Pereira Andrade, Vidyleison Neves Camargos, Alex Gutterres Taranto

Trop Med Int Health· January 2015

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Identification of a vaccine against schistosomiasis using bioinformatics and molecular modeling tools.
Débora de Oliveira Lopes, Flávio Martins de Oliveira, Ivan Evangelista do Vale Coelho, Karina Talita de Oliveira Santana, Flávia Costa Mendonça, Alex Gutterres Taranto

Infect Genet Evol· December 2013

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Antimalarial activity of 4-metoxychalcones: docking studies as falcipain/plasmepsin inhibitors, ADMET and lipophilic efficiency analysis to identify a putative oral lead candidate.
Michael Eder de Oliveira, Gisele Cenzi, Renata Rachide Nunes, Carla Regina Andrighetti, Denia Mendes de Sousa Valadão, Alex Gutterres Taranto

Molecules· December 2013

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