Search Results - "Almeida, Michell O."

Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors by Araujo, Sheila C, Maltarollo, Vinicius G, Almeida, Michell O, Ferreira, Leonardo L G, Andricopulo, Adriano D, Honorio, Kathia M

“…Activin-like kinase 5 (ALK-5) is involved in the physiopathology of several conditions, such as pancreatic carcinoma, cervical cancer and liver hepatoma…”
Get full text

Flavonoid Derivatives Targeting BCR-ABL Kinase: Semisynthesis, Molecular Dynamic Simulations and Enzymatic Inhibition by Ribeiro, Rayssa, Eloy, Mariana A, Francisco, Carla S, Javarini, Clara L, Ayusso, Gabriela M, Da Rocha Fonseca, Victor, Romão, Wanderson, Regasini, Luis O, Araujo, Sheila C, Almeida, Michell O, Honorio, Kathia M, de Paula, Heberth, Lacerda, Valdemar, Morais, Pedro A B

“…Natural products have been universally approached in the research of novel trends useful to detail the essential paths of the life sciences and as a strategy…”
Get more information

Error Awareness in the Volcano Plots of Oxygen Electroreduction to Hydrogen Peroxide by Urrego-Ortiz, Ricardo, Almeida, Michell O, Calle-Vallejo, Federico

“…Electrocatalysis holds the key to the decentralized production of hydrogen peroxide via the two-electron oxygen reduction reaction (ORR, O2g+2H++e-→H2O2aq)…”
Get full text

Monitoring Photo-Fenton and Photo-Electro-Fenton process of contaminants emerging concern by a gas diffusion electrode using Ca10-xFex-yWy(PO4)6(OH)2 nanoparticles as heterogeneous catalyst by Júnior, Fausto E.B., Marin, Beatriz T., Mira, Leticia, Fernandes, Carlos H.M., Fortunato, Guilherme V., Almeida, Michell O., Honório, Kathia M., Colombo, Renata, de Siervo, Abner, Lanza, Marcos R.V., Barros, Willyam R.P.

“…The catalytic performance of modified hydroxyapatite nanoparticles, Ca10-xFex-yWy(PO4)6(OH)2, was applied for the degradation of methylene blue (MB), fast…”
Get full text

Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis by Bilyk, Oksana, Oliveira, Gabriel S., de Angelo, Rafaela M., Almeida, Michell O., Honório, Kathia Maria, Leeper, Finian J., Dias, Marcio V. B., Leadlay, Peter F.

“…A key step in the biosynthesis of numerous polyketides is the stereospecific formation of a spiroacetal (spiroketal). We report here that spiroacetal formation…”
Get full text

A study of possible substitutes for the endocrine disruptor DEHP in two hormone receptors by Almeida, Michell O., Lanza, Marcos R. V., Honorio, Kathia M.

“…Bis(2-ethylhexyl) phthalate (DEHP) has been widely used for the production of plastics, and the compound has also been found to act as endocrine disruptor…”
Get full text

Density functional theory studies of oxygen reduction reaction for hydrogen peroxide generation on Graphene-Based catalysts by Lucchetti, Lanna E.B., Almeida, Michell O., de Almeida, James M., Autreto, Pedro A.S., Honorio, Kathia M., Santos, Mauro C.

“…[Display omitted] •Density Functional Theory Studies of Oxygen Reduction Reaction.•Hydrogen Peroxide Generation on Graphene-Based Catalysts.•Studies of…”
Get full text

An electronic point of view on the inhibition of ALK-5 by bioactive candidates related to cancer by Almeida, Michell O., Faria, Sergio H. D. M., Honorio, Kathia M.

“…Cancer is a very complex disorder, and it is urgent to find new ways to treat it. This study aims to evaluate the inhibition mechanism of ALK-5 (target related…”
Get full text

Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide by Almeida, Michell O., Kolb, Manuel J., Lanza, Marcos R. V., Illas, Francesc, Calle‐Vallejo, Federico

“…Electrochemical production of H2O2 is more benign and affordable than the conventional route, yet its adoption requires the discovery of robust, cost‐effective…”
Get full text

Gas‐phase errors affect DFT‐based electrocatalysis models of oxygen reduction to hydrogen peroxide by Almeida, Michell O., Kolb, Manuel J., Lanza, Marcos R. V., Illas, Francesc, Calle‐Vallejo, Federico

“…Invited for this month's cover picture is the group of Federico Calle‐Vallejo and Francesc Illas from the University of Barcelona (Spain). The cover picture…”
Get full text

Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer by Almeida, Michell O., Barros, Daiane A.S., Araujo, Sheila C., Faria, Sergio H.D.M., Maltarollo, Vinicius G., Honorio, Kathia M.

“…Cancer cells can expand to other parts of body through blood system and nodes from a mechanism known as metastasis. Due to the large annual growth of cancer…”
Get full text

Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents by Almeida, Michell O., Costa, Clauber H.S., Gomes, Guelber C., Lameira, Jerônimo, Alves, Claudio N., Honorio, Kathia M.

“…Activin Receptor-Like Kinase 5 (ALK-5) is related to some types of cancer, such as breast, lung, and pancreas. In this study, we have used molecular docking,…”
Get full text

In silico studies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment by Almeida, Michell O., Trossini, Gustavo H. G., Maltarollo, Vinícius G., Silva, Danielle da C., Honorio, Kathia M.

“…Studies have showed that there are many biological targets related to the cancer treatment, for example, TGF type I receptor (TGF-βRI or ALK5). The ALK5…”
Get full text

Molecular description of α‐keto‐based inhibitors of cruzain with activity against Chagas disease combining 3D‐QSAR studies and molecular dynamics by Saraiva, Ádria P. B., Miranda, Ricardo M., Valente, Renan P. P., Araújo, Jéssica O., Souza, Rutelene N. B., Costa, Clauber H. S., Oliveira, Amanda R. S., Almeida, Michell O., Figueiredo, Antonio F., Ferreira, João E. V., Alves, Cláudio Nahum, Honorio, Kathia M.

“…In this work, a group of α–keto‐based inhibitors of the cruzain enzyme with anti‐chagas activity was selected for a three‐dimensional quantitative…”
Get full text

Front Cover: Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide (ChemElectroChem 11/2022) by Almeida, Michell O., Kolb, Manuel J., Lanza, Marcos R. V., Illas, Francesc, Calle‐Vallejo, Federico

“…The Front Cover shows that there are three ways of simulating the energy landscape of oxygen reduction to hydrogen peroxide with density functional theory:…”
Get full text

Time dependent-density functional theory (TD-DFT) and experimental studies of UV–Visible spectra and cyclic voltammetry for Cu(II) complex with Et2DTC by Valle, Eliana Maira A., Maltarollo, Vinicius Gonçalves, Almeida, Michell O., Honorio, Kathia Maria, dos Santos, Mauro Coelho, Cerchiaro, Giselle

“…In this work, we studied the complexation mode between copper(II) ion and the specific ligand investigated as carriers of metals though biological membranes,…”
Get full text

Monitoring Photo-Fenton and Photo-Electro-Fenton process of contaminants emerging concern by a gas diffusion electrode using Ca 10-x Fe x-y W y (PO 4 ) 6 (OH) 2 nanoparticles as heterogeneous catalyst by Júnior, Fausto E B, Marin, Beatriz T, Mira, Leticia, Fernandes, Carlos H M, Fortunato, Guilherme V, Almeida, Michell O, Honório, Kathia M, Colombo, Renata, de Siervo, Abner, Lanza, Marcos R V, Barros, Willyam R P

“…The catalytic performance of modified hydroxyapatite nanoparticles, Ca Fe W (PO ) (OH) , was applied for the degradation of methylene blue (MB), fast green FCF…”
Get full text

Tailoring the ORR selectivity for HO electrogeneration by modification of Printex L6 carbon with 1,4-naphthoquinone: a theoretical, experimental and environmental application study by Kronka, Matheus S, Silva, Fernando L, Martins, Alysson S, Almeida, Michell O, Honório, Káthia M, Lanza, Marcos R. V

“…The modification of carbon-based materials with electroactive organic compounds can improve the oxygen reduction reaction (ORR) efficiency toward H 2 O 2…”
Get full text

Tailoring the ORR selectivity for H 2 O 2 electrogeneration by modification of Printex L6 carbon with 1,4-naphthoquinone: a theoretical, experimental and environmental application study by Kronka, Matheus S., Silva, Fernando L., Martins, Alysson S., Almeida, Michell O., Honório, Káthia M., Lanza, Marcos R. V.

“…The modification of carbon-based materials with electroactive organic compounds can improve the oxygen reduction reaction (ORR) efficiency toward H 2 O 2…”
Get full text