Homology Modeling
Mostrando 1-12 de 150 artigos, teses e dissertações.
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1. Efficacy of sertraline against Trypanosoma cruzi: an in vitro and in silico study
Abstract Background: Drug repurposing has been an interesting and cost-effective approach, especially for neglected diseases, such as Chagas disease. Methods: In this work, we studied the activity of the antidepressant drug sertraline against Trypanosoma cruzi trypomastigotes and intracellular amastigotes of the Y and Tulahuen strains, and investigated its
J. Venom. Anim. Toxins incl. Trop. Dis. Publicado em: 29/11/2018
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2. Molecular Modeling, Structural Analysis and Evaluation of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase (DXR) as a Putative Drug Target For Theileria Parva
ABSTRACT The apicomplexan parasite Theileria parva, the causative agent of ECF, is an important pathogen affecting both domestic and wild animals, causing major economic losses in the world. Problems such as high cost of drugs, development of resistance, and absence of effective vaccines prevent effective combating of the pathogen. Thus, it is necessary to e
Braz. arch. biol. technol.. Publicado em: 14/06/2018
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3. Homology modeling and epitope prediction of Der f 33
Dermatophagoides farinae (Der f), one of the main species of house dust mites, produces more than 30 allergens. A recently identified allergen belonging to the alpha-tubulin protein family, Der f 33, has not been characterized in detail. In this study, we used bioinformatics tools to construct the secondary and tertiary structures and predict the B and T cel
Braz J Med Biol Res. Publicado em: 15/03/2018
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4. Actiflagelin, a new sperm activator isolated from Walterinnesia aegyptia venom using phenotypic screening
Abstract Background Sperm contains a wealth of cell surface receptors and ion channels that are required for most of its basic functions such as motility and acrosome reaction. Conversely, animal venoms are enriched in bioactive compounds that primarily target those ion channels and cell surface receptors. We hypothesized, therefore, that animal venoms shou
J. Venom. Anim. Toxins incl. Trop. Dis. Publicado em: 22/02/2018
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5. Molecular And 3D-Structural Characterization Of Fructose-1,6-Bisphosphate Aldolase Derived From Metroxylon Sagu
ABSTRACT Fructose-1,6-bisphosphate aldolase (FBAld) is an enzyme that catalyzes the cleavage of D-fructose-1,6-phosphate (FBP) to D-glyceraldehyde-3-phosphate (G3P) and dihydroxyacetone phosphate (DHAP), and plays vital role in glycolysis and gluconeogenesis. However, molecular characterization and functional roles of FBAld remain unknown in sago palm. Here
Braz. arch. biol. technol.. Publicado em: 22/06/2017
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6. Docking and QM/MM Studies of NS2B-NS3pro Inhibitors: a Molecular Target against the Dengue Virus
Dengue virus (DENV) has been characterized as having great clinical importance in the world, as there is no specific treatment against this virus. The NS2B-NS3pro complex is essential for the replication and maturation of DENV and is a potential pharmacological target. The present study aims to evaluate and understand the interactions and affinities (via mol
J. Braz. Chem. Soc.. Publicado em: 2017-05
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7. A Computational Protein Structure Refinement of the Yeast Acetohydroxyacid Synthase
A combined molecular modeling and molecular dynamics simulation was carried out to obtain an improved description of the yeast acetohydroxyacid synthase (AHAS) in aqueous solution. After a thorough homology modeling, the AHAS catalytic dimer was subjected to a molecular dynamics (MD) simulation to analyze its behavior and optimize its geometry. The AHAS 3
J. Braz. Chem. Soc.. Publicado em: 2015-08
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8. Molecular docking of Anopheles gambiae and Aedes aegypti glutathione S-transferases epsilon 2 (GSTE2) against usnic acid: an evidence of glutathione conjugation
The aim of this study was to develop a theoretical model using Anopheles gambiae GSTE2 structure as template for Aedes aegypti GSTE2 by homology modeling Docking simulations were performed for both the enzymes against usnic acid in neutral and anionic forms. Ramachandran plot revealed that 93.9% of the GSTE2 model residues were located on most favored region
Braz. arch. biol. technol.. Publicado em: 2014-10
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9. In silico molecular modeling and docking studies on the leishmanial tryparedoxin peroxidase
Leishmaniasis is one of the most common form of neglected parasitic disease that affects about 350 million people worldwide. Leishmanias have a trypanothione mediated hydroperoxide metabolism to eliminate endogenous or exogenous oxidative agents. Both of 2-Cys peroxiredoxin (Prx) and glutathione peroxidase type tryparedoxin peroxidase (Px) are the terminal e
Braz. arch. biol. technol.. Publicado em: 2014-04
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10. Técnicas de bioinformática aplicadas ao estudo de poligalacturonases de fungos
Plant cell walls are composed of approximately 65% cellulose microfibrils and pectin. The latter is proteolytically degraded by the so-called pectinases enzymes (also known as pectinolytic enzymes). Pectinases may be either depolymerizing. They are produced by plants, filamentous fungi, bacteria, and yeast. Due to the wide commercial use of pectinase, one ha
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 18/04/2012
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11. Estudos físico-químicos e bioquímicos de uma proteína de 21 kDa do Trypanosoma cruzi / Physico-chemical and biochemical studies of a 21 kDa protein of Trypanosoma cruzi
A proteína P21 do Trypanosoma cruzi participa no processo de infecção da célula hospedeira, desse modo é de grande importância: elucidar as vias de sinalização induzidas pela proteína, bem como caracterizar a nível molecular e estrutural a P21. O que vai auxiliar no entendimento da função biológica da P21 e sua participação no processo de infe
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 26/01/2012
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12. Diversity and three-dimensional structures of the alpha Mcr of the methanogenic Archaea from the anoxic region of Tucuruí Lake, in Eastern Brazilian Amazonia
Methanogenic archaeans are organisms of considerable ecological and biotechnological interest that produce methane through a restricted metabolic pathway, which culminates in the reaction catalyzed by the Methyl-coenzyme M reductase (Mcr) enzyme, and results in the release of methane. Using a metagenomic approach, the gene of the a subunit of mcr (mcrα) was
Genetics and Molecular Biology. Publicado em: 20/01/2012