Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors by Priscila Goes Camargo, Carine Ribeiro dos Santos, Magaly Girão Albuquerque, Carlos Rangel Rodrigues, Camilo Henrique da Silva Lima

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Modelagem Molecular: Uma Ferramenta para o Planejamento Racional de Fármacos em Química Medicinal Molecular modeling: a tool for rational drug design in medicinal chemistry by Eliezer J. Barreiro, Carlos Rangel Rodrigues, Magaly Girão Albuquerque, Carlos Mauricio Rabello de Sant'Anna, Ricardo Bicca de Alencastro

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Quinoxalines against Leishmania amazonensis: SAR study, proposition of a new derivative, QSAR prediction, synthesis, and biological evaluation by Anna Carolina Silva de Jesus Passaes, Juliana Arantes Dantas, Fernanda Landim Lopes, Diego Pereira Sangi, Magaly Girão Albuquerque, Celso Vataru Nakamura, Julliane Yoneda

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In silico evaluation of N-aryl-1,10-phenanthroline-2-amines as potential inhibitors of T. cruzi GP63 zinc-metalloprotease by docking and molecular dynamics simulations by Priscila Goes Camargo, Ramon Borges da Silva, Aline Araujo Zuma, Simon J. Garden, Magaly Girão Albuquerque, Carlos Rangel Rodrigues, Camilo Henrique da Silva Lima

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Residue-Ligand Interaction Energy (ReLIE) on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors by Monique Araújo de Brito, Carlos Rangel Rodrigues, José Jair Viana Cirino, Jocley Queiroz Araújo, Thiago Honório, Lúcio Mendes Cabral, Ricardo Bicca de Alencastro, Helena Carla Castro, Magaly Girão Albuquerque

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Application of 4D-QSAR Studies to a Series of Raloxifene Analogs and Design of Potential Selective Estrogen Receptor Modulators by Carlos Rangel Rodrigues, Lúcio Mendes Cabral, Helena Carla Castro, Magaly Girão Albuquerque, Ricardo Bicca de Alencastro, Uiaran de Oliveira Magalhães, Elaine Fontes Ferreira da Cunha, Ana Carolina Rennó Sodero, Nelilma Correia Romeiro

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In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition by Priscila Goes Camargo, Helena Tiemi Suzukawa, Patrícia Morais Lopes Pereira, Mariana Luiza Silva, Fernando Macedo Jr, Magaly Girão Albuquerque, Carlos Rangel Rodrigues, Sueli Fumie Yamada-Ogatta, Camilo Henrique da Silva Lima, Marcelle de Lima Ferreira Bispo

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Antileishmanial Activity of 4,8-Dimethoxynaphthalenyl Chalcones on <i>Leishmania amazonensis</i> by Kaio Maciel de Santiago-Silva, Bruna Taciane da Silva Bortoleti, Laudicéa do Nascimento Oliveira, Fernanda Lima de Azevedo Maia, Joyce Cristina Castro, Ivete Conchon Costa, Danielle Bidóia Lazarin, James L. Wardell, Solange M. S. V. Wardell, Magaly Girão Albuquerque, Camilo Henrique da Silva Lima, Wander Rogério Pavanelli, Marcelle de Lima Ferreira Bispo, Raoni Schroeder B. Gonçalves

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