Enzyme Ligand Interaction
Mostrando 1-12 de 69 artigos, teses e dissertações.
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1. EQUILÍBRIO QUÍMICO E CINÉTICA ENZIMÁTICA DA INTERAÇÃO DE α-AMILASE COM COMPOSTOS FENÓLICOS ENCONTRADOS EM CERVEJA
α-amylase is a key enzyme in the production of beer due to the breakdown of starch into fermentable sugars. During the preparation of the brewing mash, the enzyme can be affected by polyphenols present in the mixture. Our aim was to evaluate the kinetics and equilibrium of the interaction of α-amylase with some polyphenols (chlorogenic, caffeic, ferulic ac
Quím. Nova. Publicado em: 2017-08
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2. INTERAÇÕES FÁRMACO-RECEPTOR: APLICAÇÕES DE TÉCNICAS COMPUTACIONAIS EM AULA PRÁTICA SOBRE A EVOLUÇÃO DOS INIBIDORES DA ENZIMA CONVERSORA DE ANGIOTENSINA
Teaching classes and events regarding the molecular aspects of drug-receptor interactions is not an easy task. The ligand stereochemistry and the spatial arrangement of the macromolecular targets highly increase the complexity of the process. In this context, the use of alternative and more playful approaches could allow students to gain a more thorough unde
Quím. Nova. Publicado em: 2015-09
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3. Planejamento de inibidores baseado em fragmentos moleculares para a enzima gliceraldeído-3-fosfato desidrogenase de Trypanosoma cruzi / Design of inhibitors through fragment-based drug discovery for the enzyme glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
Chagas disease is a parasitic illness endemic in Latin America caused by the trypanosomatid parasite Trypanosoma cruzi that spreads around the world due to people migration. Nowadays, Benznidazole and Nifurtimox (banned in Brazil), are used for the treatment of this disease but causes severe side effects to patients. Recently, three new molecules have reache
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 20/04/2012
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4. Derivados de quinazolinas na inibição da adenosina quinase / Quinazoline derivatives in adenosine kinase inhibition
A Adenosina Quinase (ADK) é uma enzima importante (EC 2.7.1.20), cuja ação pode estar relacionada a diversas doenças, tais como inflamações, derrame, infarto, entre outras. Desse modo, a inibição de sua atividade é de grande importância, e desperta interesse científico. Na tentativa de inibir a ação da ADK, houve busca por compostos orgânicos c
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 14/10/2011
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5. Analgesic effect of leaf extract from Ageratina glabrata in the hot plate test
Ageratina glabrata (Kunth) R.M. King & H. Rob., Asteraceae (syn. Eupatorium glabratum Kunth) is widely distributed throughout Mexico and popularly known as "chamizo blanco" and "hierba del golpe" for its traditional use as external analgesic remedy. Though glabrata species has been chemically studied, there are no experimentally asserted reports about possib
Revista Brasileira de Farmacognosia. Publicado em: 02/09/2011
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6. Identification studies of possible targets for azomethinic or oxadiazolinic nitrocompounds with antifungal and anti-T. cruzi activity / Estudos de identificação de possíveis alvos para nitro-compostos azometínicos ou oxadiazolínicos com atividade antifúngica e anti-T. cruzi
This study had as objective the study of Tridimensional Quantitative Structure-Activity Relationships, 3D QSAR, and the identification of potential targets for 5-nitro-heterocyclic compounds with azomethynic or oxadiazolynic structures presenting dual antifungal and anti-T. cruzi bioactivity, aiming the discovery of new compounds to be used as possible drug
Publicado em: 2009
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7. MIA-QSAR MODELING biological activity of inhibitors of phosphodiesterase type-5. / Modelagem Mia-Qsar das atividades biolÃgicas de inibidores de fosfodiesterase tipo-5.
The use of theoretical models to represent and manipulate molecular structures, study chemical reactions and establish relationships between structure and matter properties constitutes the field of application of molecular modeling. In this context, several molecular modeling methods have been developed and should be tested and validated in regard to its app
Publicado em: 2009
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8. Análise de Impacto do Polimorfismo Genético do Subtipo C do HIV-1 na Interação da Protease Viral com o Inibidor Nelfinavir por Modelagem e Dinâmica Molecular / Analyse the Impact of Genetic Polymorphism of subtype C of HIV-1 Protease Inhibitors in the Interaction Viral With the Inhibitor Nelfinavir by Modeling and Molecular Dynamics
The human immunodeficiency virus (HIV) can be divided into HIV-1 and HIV-2. The former can be divided into groups: M, N and O. Group M, which represents 90% of infections, is divided into several subtypes (A, B, C, D, F, G, H, J and K). It is known today that the most prevalent subtype in the world (and in Africa) is the subtype C, although the most studied
Publicado em: 2008
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9. Biochemical and molecular characterization of the Leishmania spp. telomerase reverse transcriptase component / Caracterização bioquimica e molecular do componente transcriptase reversa da telomerase de Leishmania spp
Telomeres are protein-DNA complexes that protect linear chromosomes from degradation, providing genomic stability. The telomeric sequences are G-rich and contain a 3 single-stranded region that protrudes toward the chromosome end. In Leishmania, the telomeric DNA is composed by the conserved 5 -TTAGGG-3 repeated sequence and it is replicated by telomerase. T
Publicado em: 2007
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10. Estudo QSAR de inibidores da secreção gastrica e simulação molecular da inibição
O estudo QSAR de inibidores da secreção gástrica e simulação molecular da inibição consiste em quatro fases. Na fase um busca-se validação dos métodos de simulação de solvatação. Na fase dois, a elaboração de modelos de relações quantitativas entre estrutura química e atividade biológica (QSAR) para compostos moduladores da secreção gá
Publicado em: 2004
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11. PRECISE: a Database of Predicted and Consensus Interaction Sites in Enzymes
PRECISE (Predicted and Consensus Interaction Sites in Enzymes) is a database of interactions between the amino acid residues of an enzyme and its ligands (substrate and transition state analogs, cofactors, inhibitors and products). It is available online at http://precise.bu.edu/. In the current version, all information on interactions is extracted from the
Oxford University Press.
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12. Some general principles in free energy transduction.
Chemical potentials or standard chemical potentials of bound ligands cannot be used to follow the step-by-step transfer of free energy from one ligand to another in a free energy transducing cycle. The basic difficulty is that, in most states of the cycle, separate ligand free energies are not even defined because, when ligands are bound on the enzyme, the i