In Silico Experiments
Mostrando 1-12 de 46 artigos, teses e dissertações.
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1. Natural and Semisynthetic Triterpenes from Combretum leprosum Mart. with Antiplasmodial Activity
Malaria is responsible for thousands of deaths each year. Currently, artemisinin combination therapy (ACT) is used as first-choice medication against the disease. However, the emergence of resistant strains prompts the search for alternative compounds. The present study aimed to investigate the antiplasmodial activities of natural triterpenes (compounds 1 an
Journal of the Brazilian Chemical Society. Publicado em: 2022
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2. Characterization and in silico Mutagenic Assessment of a New Betahistine Degradation Impurity
Currently, the pharmaceutical industry devotes great attention to drug degradation products because these compounds can offer risks to patients. A previous degradation study of betahistine (N-α-methyl-2-pyridylethylamine) conducted under different stress conditions detected three main impurities named A, B and C. Degradation products were analyzed by high-r
J. Braz. Chem. Soc.. Publicado em: 04/07/2019
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3. Pyrazolyl-Tetrazoles and Imidazolyl-Pyrazoles as Potential Anticoagulants and their Integrated Multiplex Analysis Virtual Screening
This article reports a novel virtual screening algorithm seeking the rational identification of novel lead anticoagulants. Seven 5-(3-methyl-1-aryl-1H-pyrazol-4-yl)-1H-tetrazoles and seven novel 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1H-pyrazoles were obtained in three steps starting from arylhydrazine hydrochlorides as raw materials in good yields
J. Braz. Chem. Soc.. Publicado em: 2019-01
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4. Descrição da proveniência de dados para extração de conhecimento em sistemas de informação de hemoterapia / Provenance Description to Extract Knowledge from Hemotherapy Information Systems
The São Paulo Blood Center is responsible to maintain a database with information on each donation. However, this database does not have the quality required by techniques of analysis. For this reason, it is difficult to use it directly to establish systematic relationships between the variables. The main contribution of this paper is a provenance descripti
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 23/05/2012
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5. Sequence characterization, in silico mapping and cytosine methylation analysis of markers linked to apospory in Paspalum notatum
In previous studies we reported the identification of several AFLP, RAPD and RFLP molecular markers linked to apospory in Paspalum notatum. The objective of this work was to sequence these markers, obtain their flanking regions by chromosome walking and perform an in silico mapping analysis in rice and maize. The methylation status of two apospory-related se
Genet. Mol. Biol.. Publicado em: 09/11/2012
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6. Expression analysis in response to drought stress in soybean: shedding light on the regulation of metabolic pathway genes
Metabolomics analysis of wild type Arabidopsis thaliana plants, under control and drought stress conditions revealed several metabolic pathways that are induced under water deficit. The metabolic response to drought stress is also associated with ABA dependent and independent pathways, allowing a better understanding of the molecular mechanisms in this model
Genetics and Molecular Biology. Publicado em: 2012
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7. Production of biodegradable plastics using sugarcane bagasse hemicellulosic hydrolysate. / Produção de plásticos biodegradáveis utilizando hidrolisado hemicelulósico de bagaço de cana-de-açúcar.
The aim of this thesis is to produce poly3-hydroxybutyrate (P3HB) and poli-3-hidroxibutirate-co-3-hydroxyvalerate (PHB-co-3HV), biodegradable polymers, using hemicellulosic hydrolysate, rich in xylose, from sugarcane bagasse. Metabolic flux analysis in silico of xylose metabolism indicated that, though metabolism redirection is possible to increase P3HB yiel
Publicado em: 2010
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8. AnÃlise in silico de novos potenciais polimorfismos genÃticos de risco na DoenÃa de Alzheimer em bancos de dados de Microarrays
Genomic and Proteomic studies of neurodegenerative disorders require complementary approaches to integrate the massive amount of data generated in high throughput experimental procedures. We propose a Bioinformatics pipeline in which expression studies guide the selection of candidate genes that should be screened for potential new genetic variations from a
Publicado em: 2009
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9. Identificação e caracterização de genes candidatos para a tolerância à seca em cafeeiro / Identification and characterization of candidate genes for drought tolerance in coffee
Coffee is economically important and widely cultivated in Brazil. The cultivated area is well distributed throughout the territory, whereby C. arabica and C. canephora are produced, depending on the region. Usually, drought and adverse temperatures are the major weather constraints to coffee production. The importance of such limitations should increase, acc
Publicado em: 2009
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10. Avaliação do perfil metabólico da estavudina através do emprego da bioconversão e da modelagem molecular do citocromo P-450 CYP3A4 / Evaluation of the metabolic profile of stavudine through the use of bioconversion and molecular modeling of cytochrome P-450 CYP3A4
Before the approval of an active compound, metabolism studies are necessary to ensure its safety, once active metabolites could be synthesized during human biotransformation. The use of eukaryotic microorganisms for the study of drug metabolism has been widely explored, due to its capability of producing metabolites similar to the mammalians, and in silico s
Publicado em: 2009
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11. Caracterização do elemento transponível Boto em Moniliophthora perniciosa, agente causal da vassoura-de-bruxa no cacaueiro (Theobroma cacao) / Characterization of the transposable element Boto in Moniliophthora perniciosa, the causal agent of witche s broom disease in cocoa tree (Theobroma cacao).
The hemibiothrophic basidiomycete Moniliophthora perniciosa, the causal agent of witche s broom disease in cocoa (Theobroma cacao), presents different transposable elements in its genome. A transposable element of Class II belonging to the super-family PIF/Harbinger, named Boto, had been partially characterized in previous studies. The element Boto, as well
Publicado em: 2009
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12. Ecogenômica de archaea e monitoramento de comunidades de procariotos redutores de sulfato: aplicações na indústria de petróleo e gás
The human activities responsible for the ambient degradation in the modern world are diverse. The industrial activities are preponderant in the question of the impact consequences for brazilian ecosystems. Amongst the human activities, the petroliferous industry in operation in Potiguar Petroliferous Basin (PPB) displays the constant risk of ambient impacts
Publicado em: 2008