Search Results - "de Castro Ramalho, Teodorico"

Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics by Alencar, Wilson Luna Machado, da Silva Arouche, Tiago, Neto, Abel Ferreira Gomes, de Castro Ramalho, Teodorico, de Carvalho Júnior, Raul Nunes, de Jesus Chaves Neto, Antonio Maia

“…The new coronavirus, SARS-CoV-2, caused the COVID-19 pandemic, characterized by its high rate of contamination, propagation capacity, and lethality rate. In…”
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Publisher Correction: Interactions of Co, Cu, and non-metal phthalocyanines with external structures of SARS-CoV-2 using docking and molecular dynamics by Alencar, Wilson Luna Machado, da Silva Arouche, Tiago, Neto, Abel Ferreira Gomes, de Castro Ramalho, Teodorico, de Carvalho Júnior, Raul Nunes, de Jesus Chaves Neto, Antonio Maia

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Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective by de Jesus, João Paulo Almirão, Assis, Letícia Cristina, de Castro, Alexandre Alves, da Cunha, Elaine Fontes Ferreira, Nepovimova, Eugenie, Kuca, Kamil, de Castro Ramalho, Teodorico, de Almeida La Porta, Felipe

“…Understanding the effects of metabolism on the rational design of novel and more effective drugs is still a considerable challenge. To the best of our…”
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Iron and molybdenum mixed oxide supported on Al-PILC for the catalytic oxidative desulfurization of dibenzothiophene in simulated diesel fuel by Tireli, Aline Auxiliadora, do Rosário Guimarães, Iara, Mello Mattos de Castro, Guilherme, Gonçalves, Mateus Aquino, de Castro Ramalho, Teodorico, Guerreiro, Mário Cesar

“…In this work, three novel catalysts were prepared by 2.5, 5.0, and 10.0 wt.% facile impregnation with an iron and molybdenum mixed oxide (Fe/Mo) on an aluminum…”
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Chitosan-iron oxide hybrid composite: mechanism of hexavalent chromium removal by central composite design and theoretical calculations by Chagas, Pricila Maria Batista, Caetano, Aline Aparecida, Rossi, Marco Aurélio, Gonçalves, Mateus Aquino, de Castro Ramalho, Teodorico, Corrêa, Angelita Duarte, do Rosário Guimarães, Iara

“…In this study, the synthesis of iron oxide stabilized by chitosan was carried out for the application and optimization in the removal process of aqueous Cr(VI)…”
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Thioanisole oxidation promoted by new niobium-based catalyst: The effect of surface hydroxyl groups on catalytic performance by de Aguiar, Guilherme Carletti, Batalha, Daniel Carreira, Fajardo, Humberto Vieira, Filho, José Balena Gabriel, Bruziquesi, Carlos Giovanni Oliveira, de Oliveira, Luiz Carlos Alves, Gonçalves, Mateus Aquino, Ramalho, Teodorico de Castro, Silva, Adilson Candido

“…In this work, the application of a new, synthesized niobium-based catalyst, called S4 (niobium oxyhydroxide), in the liquid-phase oxidation of methyl-phenyl…”
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Differential Complexation between Zn²⁺ and Cd²⁺ with Fulvic Acid: A Computational Chemistry Study by de Castro Ramalho, Teodorico, da Cunha, Elaine F. F, de Alencastro, Ricardo Bicca, Espínola, Aïda

“…Fulvic (FA) and humic acids (HA) from the solubilization of organic matter are significant agents of the complex of metallic ions in soil and water. Cadmium…”
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Experimental hydrophilic reactivator: bisoxime with three positive charges by Kuca, Kamil, Nepovimova, Eugenie, Wu, Qinghua, de Souza, Felipe Rodrigues, Ramalho, Teodorico de Castro, Franca, Tanos Celmar Costa, Musilek, Kamil

“…Within this study, experimental hydrophilic acetylcholinesterase (AChE) reactivator was evaluated in vitro against selected nerve agents (cyclosarin, tabun,…”
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Employing conformational analysis in the molecular modeling of agrochemicals: insights on QSAR parameters of 2,4-D by Freitas, Matheus Puggina de, Ramalho, Teodorico de Castro

“…A common practice to compute ligand conformations of compounds with various degrees of freedom to be used in molecular modeling (QSAR and docking studies) is…”
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3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes by da Cunha, Elaine Fontes Ferreira, Sippl, Wolfgang, de Castro Ramalho, Teodorico, Ceva Antunes, Octavio Augusto, de Alencastro, Ricardo Bicca, Albuquerque, Magaly Girão

“…The three-dimensional quantitative structure–activity relationships (3D-QSAR) of a series of HOE/BAY-793 analogs (C 2-symmetric diol peptidomimetics),…”
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Host–guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling study by Grillo, Renato, de Melo, Nathalie F. S., de Araújo, Daniele R., Trossini, Gustavo H. G., da Cunha, Elaine F. F., de Castro Ramalho, Teodorico, Fraceto, Leonardo Fernandes

“…Nitroheterocyclic compounds (NC) were candidate drugs proposed for Chagas disease chemotherapy. In this study, we investigated the complexation of…”
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Interactions of 5-deazapteridine Derivatives with Mycobacterium tuberculosis and with Human Dihydrofolate Reductases by da Cunha, Elaine F. F., Ramalho, Teodorico de Castro, de Alencastro, Ricardo Bicca, Maia, Elaine Rose

“…There are major differences between the structures of human dihydrofolate reductase (hDHFR) and Mycobacterium tuberculosis dihydrofolate reductase (mtDHFR)…”
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Properties of fiber cement reinforced with cellulose pulp modified by plasma treatment with sulfur hexafluoride (SF6) by Schiavi, Laís Salviano de Oliveira, Gonçalves, Mateus Aquino, Delgado-Silva, Adriana de Oliveira, Rangel, Elidiane Cipriano, Ramalho, Teodorico de Castro, Mendes, Rafael Farinassi, Vaz, Lívia Elisabeth Vasconcellos de Siqueira Brandão

“…Cellulose pulps in cementitious matrix have been investigated because of their high tensile strength, which improves the mechanical properties of the…”
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Coumarin/β-Cyclodextrin Inclusion Complexes Promote Acceleration and Improvement of Wound Healing by Dutra, Flávia Viana Avelar, Francisco, Carla Santana, Carneiro Pires, Bruna, Borges, Marcella Matos Cordeiro, Torres, Ana Luiza Horta, Resende, Vivian Alexandra, Mateus, Marcella Fernandes Mano, Cipriano, Daniel Fernandes, Miguez, Flávio Bastos, Freitas, Jair Carlos Checon de, Teixeira, Jéssika Poliana, Borges, Warley de Souza, Guimarães, Luciana, da Cunha, Elaine Fontes Ferreira, Ramalho, Teodorico de Castro, Nascimento, Clebio Soares, De Sousa, Frederico Barros, Costa, Raquel Alves, Lacerda, Valdemar, Borges, Keyller Bastos

“…Coumarins have great pharmacotherapeutic potential, presenting several biological and pharmaceutical applications, like antibiotic, fungicidal,…”
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Molecular Docking of Azithromycin, Ritonavir, Lopinavir, Oseltamivir, Ivermectin and Heparin Interacting with Coronavirus Disease 2019 Main and Severe Acute Respiratory Syndrome Coronavirus-2 3C-Like Proteases by Arouche, Tiago da Silva, Martins, Anderson Yuri, Ramalho, Teodorico de Castro, Júnior, Raul Nunes Carvalho, Costa, Fabio Luiz Paranhos, Filho, Tarciso Silva de Andrade, Neto, Antonio Maia Jesus Chaves

“…In the current pandemic situation raised due to COVID-19, drug reuse is emerging as the first line of treatment. The viral agent that causes this highly…”
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Cyclodextrin/silica hybrid adsorbent for removal of methylene blue in aqueous media by Carvalho, Lucas Bragança de, Carvalho, Tauana Garcia, Magriotis, Zuy Maria, Ramalho, Teodorico de Castro, Pinto, Luciana de Matos Alves

“…Functionalization of a silica surface using cyclodextrin was performed using citric acid as a bonding agent. The material obtained was characterized using…”
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Differential Complexation Between Zn super(2+) and Cd super(2+) with Fulvic Acid: A Computational Chemistry Study by Castro Ramalho, Teodorico, Cunha, Elaine FF, Alencastro, Ricardo Bicca, Espinola, Aida

“…Fulvic (FA) and humic acids (HA) from the solubilization of organic matter are significant agents of the complex of metallic ions in soil and water. Cadmium…”
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