Search Results - "Monteiro, Norberto"

Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study by Monteiro, Norberto K. V, Firme, Caio L

“…The hydrogen–hydrogen (H–H) bond or hydrogen–hydrogen bonding is formed by the interaction between a pair of identical or similar hydrogen atoms that are close…”
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Suppression of a BAHD acyltransferase decreases p‐coumaroyl on arabinoxylan and improves biomass digestibility in the model grass Setaria viridis by Mota, Thatiane R., Souza, Wagner R., Oliveira, Dyoni M., Martins, Polyana K., Sampaio, Bruno L., Vinecky, Felipe, Ribeiro, Ana P., Duarte, Karoline E., Pacheco, Thályta F., Monteiro, Norberto de K. V., Campanha, Raquel B., Marchiosi, Rogério, Vieira, Davi S., Kobayashi, Adilson K., Molinari, Patrícia A. de O., Ferrarese‐Filho, Osvaldo, Mitchell, Rowan A. C., Molinari, Hugo B. C., Santos, Wanderley D.

“…Summary Grass cell walls have hydroxycinnamic acids attached to arabinosyl residues of arabinoxylan (AX), and certain BAHD acyltransferases are involved in…”
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Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone ( E )-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product by Geysillene Castro Matos, Maria, da Silva, Leonardo Paes, Wagner Queiroz Almeida-Neto, Francisco, Machado Marinho, Emanuelle, Róseo Paula Pessoa Bezerra de Menezes, Ramon, Lima Sampaio, Tiago, Nunes da Rocha, Matheus, Rodrigues Ribeiro, Lyanna, Paula Magalhaes, Emanuel, Rodrigues Teixeira, Alexandre Magno, Dos Santos, Hélcio Silva, Marinho, Emmanuel Silva, de Lima-Neto, Pedro, Costa Martins, Alice Maria, Monteiro, Norberto K V, Machado Marinho, Márcia

“…Chagas disease is a leading public health problem. More than 8 million people are affected by the disease, which is endemic in 21 countries in Latin America,…”
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A mechanistic insight for the biosynthesis of N,N-dimethyltryptamine: An ONIOM theoretical approach by Coutinho, Lucas Pinheiro, Silva, Sérgio Ruschi Bergamachi, de Lima-Neto, Pedro, Monteiro, Norberto de Kássio Vieira

“…Psychoactive natural products are potent serotonergic agonists capable of modulating brain functions such as memory and cognition. These substances have shown…”
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Analysis of temperature effect in the CO2 absorption using a deep eutectic solvent: An in silico approach by Bezerra, Lucas Lima, Correia, Adriana Nunes, de Lima-Neto, Pedro, Monteiro, Norberto de Kássio Vieira

“…The excess level of carbon dioxide in the atmosphere has contributed a lot to global warming, occasioning several damages to the planet. Therefore, it is…”
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Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations by da Silva, Leonardo P., Almeida-Neto, Francisco Wagner Q., Bezerra, Lucas L., Silva, Jacilene, Monteiro, Norberto K. V., Marinho, Márcia M., dos Santos, Hélcio S., Teixeira, Alexandre M. R., Marinho, Emmanuel S., de Lima-Neto, Pedro

“…Chagas disease (CD) is a tropical disease caused by the parasite Trypanosoma cruzi , transmitted by the barber insect. Currently, there are approximately 7…”
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Virtual screening of flavonoids from Chamaecrista genus: ADME and pharmacokinetic properties, interactions of flavonoid-DNA complex by molecular docking and molecular dynamics by Oliveira, Ana Paula S., Lima, Daniele R., Bezerra, Lucas L., Monteiro, Norberto K.V., Loiola, Otília D., Silva, Maria Goretti V.

“…This research aimed to conduct an in silico study of compounds, mainly flavonoids, that are found in several plants, including the species of the Chamaecrista…”
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Bioinsecticidal activity of a novel Kunitz trypsin inhibitor from Catanduva (Piptadenia moniliformis) seeds by Cruz, Ana C.B., Massena, Fábio S., Migliolo, Ludovico, Macedo, Leonardo L.P., Monteiro, Norberto K.V., Oliveira, Adeliana S., Macedo, Francisco P., Uchoa, Adriana F., Grossi de Sá, Maria F., Vasconcelos, Ilka M., Murad, Andre M., Franco, Octavio L., Santos, Elizeu A.

“…The present study aims to provide new in vitro and in vivo biochemical information about a novel Kunitz trypsin inhibitor purified from Piptadenia moniliformis…”
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Modeling the adsorption mechanism of 3-tertiary-butyl-4-hydroxyanisole (3BHA) on polyethylene and polypropylene microplastics by Monteiro, Norberto de Kássio Vieira, Bezerra, Lucas Lima, Machado, Richele Janaína de Araújo

“…The polyethylene (PE) and polypropylene (PP) microplastics (MPs) can act as carriers of the molecule 3-tertiary-butyl-4-hydroxyanisole (3BHA), which propose…”
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Molecular Nanoinformatics Approach Assessing the Coating Oxcarbazepine (OXC) Drug on Silver Nanoparticles by Monteiro, Norberto de Kássio Vieira, Bezerra, Lucas Lima, da Silva, Leonardo P., Machado, Richele

“…Silver nanoparticles (AgNP) have gained significant attention due to their unique pharmacological properties. These nanoparticles have been found to possess…”
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Theoretical and Experimental Investigation of Acidity of the Glutamate Receptor Antagonist 6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione and Its Possible Implication in GluA2 Binding by de Freitas, Gutto R. S, Coelho, Sara E, Monteiro, Norberto K. V, Neri, Jannyely Moreira, Cavalcanti, Lívia Nunes, Domingos, Josiel B, Vieira, Davi S, de Souza, Miguel A. F, Menezes, Fabrício G

“…The acidity of organic compounds is highly relevant to understanding several biological processes. Although the relevance and challenges in estimating pK a…”
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Molecular approach about the effect of water on the electrochemical behaviour of Ag+ ions in urea-choline chloride-water mixture by Bezerra-Neto, João R., Bezerra, Lucas L., Sousa, Natalia G., dos Santos, Luis P. M., Marinho, Emmanuel S., Monteiro, Norberto K. V., Correia, Adriana N., de Lima-Neto, Pedro

“…The water influence on electrochemical behaviour of Ag + ions in urea and choline chloride mixture was investigated by cyclic voltammetry technique, while the…”
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Antioxidant activity of eugenol and its acetyl and nitroderivatives: the role of quinone intermediates—a DFT approach of DPPH test by Candido Júnior, José Roberval, Romeiro, Luiz Antonio Soares, Marinho, Emmanuel Silva, Monteiro, Norberto de Kássio Vieira, de Lima-Neto, Pedro

“…This work investigated the antioxidant potential of acetylated and nitrated eugenol derivatives through structural analysis and the mechanism of hydrogen…”
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Analysis of Fe2+ and Mn2+ ions in DES and water: A theoretical study using molecular dynamic simulations, QTAIM and NCI-RDG by Amorim, Laudenor, de Oliveira, Renato Veríssimo, Bezerra, Lucas Lima, Coutinho, Lucas Pinheiro, Fechine, Pierre Basílio Almeida, Correia, Adriana Nunes, Silva, Ámison Rick Lopes da, de Lima-Neto, Pedro, Monteiro, Norberto Kássio de Vieira

“…This work was essential to analyze the behavior of Fe2+ and Mn2+ ions in water and deep eutectic solvent (DES) based on choline chloride and ethylene glycol…”
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QTAIM and NCI analysis of intermolecular interactions in steroid ligands binding a cytochrome P450 enzyme – Beyond the most obvious interactions by Firme, Caio L., Monteiro, Norberto K.V., Silva, Sérgio R.B.

“…[Display omitted] •QTAIM analysis unveils many unusual intermolecular interactions between ABE or PREG and CYP17.•These are exotic HH bond, exotic H-bond and…”
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In silico prediction of inhibitory potential of a punicalagin β-anomer against SARS-COV-2 main protease (MPRO) by Norberto Monteiro, Vitória Monteiro, Lorena Lima, Anna Karolline, Richele Machado

“…The pandemic caused by the new coronavirus has resulted in a global health emergency and has prompted an urgent need for new treatment strategies. No…”
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Potent and Broad-Spectrum Antimicrobial Activity of Analogs from the Scorpion Peptide Stigmurin by Amorim-Carmo, Bruno, Daniele-Silva, Alessandra, Parente, Adriana M S, Furtado, Allanny A, Carvalho, Eneas, Oliveira, Johny W F, Santos, Elizabeth C G, Silva, Marcelo S, Silva, Sérgio R B, Silva-Júnior, Arnóbio A, Monteiro, Norberto K, Fernandes-Pedrosa, Matheus F

“…Scorpion venom constitutes a rich source of biologically active compounds with high potential for therapeutic and biotechnological applications that can be…”
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A UNIFIED FORMULA FOR HYDROCARBONS WITH APPLICATIONS TO FUNCTIONAL GROUPS by Nogueira, Higo, Monteiro, Norberto, Lima-Neto, Pedro

“…Was supposed a numerical relationship between atoms of Hydrogen and Carbon in a hydrocarbon, assumption valid for all types of chains. In the proposed…”
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Characterization of the structural, spectroscopic, nonlinear optical, electronic properties and antioxidant activity of the N-{4’-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en-1-one]}-acetamide by Almeida-Neto, Francisco Wagner Q., da Silva, Leonardo P., Ferreira, Maria Kueirislene A., Mendes, Francisco Rogênio S., de Castro, Kevin K.A., Bandeira, Paulo N., de Menezes, Jane Eire S.A., dos Santos, Hélcio S., Monteiro, Norberto K.V., Marinho, Emmanuel S., de Lima-Neto, Pedro

“…The molecule N-{4’-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en-1-one]} chalcone (PAAPFBA) was recently synthesized due to the growing interest in the chemistry…”
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Characterization and pharmacological properties of a novel multifunctional Kunitz inhibitor from Erythrina velutina seeds by Machado, Richele J A, Monteiro, Norberto K V, Migliolo, Ludovico, Silva, Osmar N, Pinto, Michele F S, Oliveira, Adeliana S, Franco, Octávio L, Kiyota, Sumika, Bemquerer, Marcelo P, Uchoa, Adriana F, Morais, Ana H A, Santos, Elizeu A

“…Inhibitors of peptidases isolated from leguminous seeds have been studied for their pharmacological properties. The present study focused on purification,…”
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