Molecular Modelling By Homology
Mostrando 1-10 de 10 artigos, teses e dissertações.
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1. 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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2. An in silico Study of Benzophenone Derivatives as Potential Non-Competitive Inhibitors of Trypanosoma cruzi and Leishmania Amazonensis Cysteine Proteinases
This study investigates the mechanisms of interaction between benzophenone derivatives and cruzain and Llacys1 (the protein expressed by cysteine protease gene isoform 1 of L. amazonensis) by homology modelling, docking and molecular dynamics simulation. The results predict that the same binding site in cruzain and Llacys1 is involved in complexes with benzo
J. Braz. Chem. Soc.. Publicado em: 2018-03
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3. Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling
BACKGROUND Malaria persists as a major public health problem. Atovaquone is a drug that inhibits the respiratory chain of Plasmodium falciparum, but with serious limitations like known resistance, low bioavailability and high plasma protein binding. OBJECTIVES The aim of this work was to perform molecular modelling studies of 2-hydroxy-1,4-naphthoquinones
Mem. Inst. Oswaldo Cruz. Publicado em: 2017-04
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4. Biodegradação de hidrocarbonetos aromáticos policíclicos: prospecção metagenômica e modelagem computacional 3-D de proteínas
O conhecimento sobre os procariotos nativos em locais de risco favorece a aplicação de biotecnologias para biorremediação. Estratégias independentes de cultivo, como metagenômica, contribuem para aprofundar o conhecimento microbiológico, possibilitando estudos com organismos não cultiváveis acerca do status microbiológico nativo e seu potencial pap
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 23/05/2011
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5. Implicações funcionais de eventos de splicing alternativo no proteoma humano / Functional implications of alternative splicing in the human proteome
The post-genomic era has emerged as one prosper field to deal with the huge amount of sequences produced by genome projects and increase the understanding of its biological meaning. One of the most surprising mechanisms capable to generate a lot of protein diversity is alternative splicing in immature mRNAs. No more than 22% of the known protein structures e
Publicado em: 2007
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6. Análise por modelagem e dinâmica molecular da interação entre a integrina α6β1 e a laminina 111 humana / Molecular modelling and dynamics analisys of human α6β1 integrin and laminin 111 interaction
The extracelullar matrix (ECM) is formed by an assembly of proteins and glycoproteins which surrounds the cells, in various tissues. The laminin is a glycoprotein localized in the ECM that consists of three polypeptidic chains cross- shaped. It functions by anchoring epithelial cells to basal lamin, through associations with integrins, collagen, elastin and
Publicado em: 2007
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7. Structural studies of DM43: a snake venom metalloprotease inhibitor extracted from Didelphis marsupialis opossum serum. / Estudos estruturais de DM43: Um inibidor de metaloprotease de veneno de serpente extraído do soro do gambá Didelphis marsupialis.
The natural resistance of the opossum, Didelphis marsupialis, towards snake venom is due to antibothropic factors present in the blood serum, of which DM43 is one. It is responsible for the inhibition of the hemorrhagic activity of the venom. With a view to better understanding the mechanism of action of this protein against venom metalloproteases, one of th
Publicado em: 2000
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8. Distinct specificity in the recognition of phosphoinositides by the pleckstrin homology domains of dynamin and Bruton's tyrosine kinase.
Pleckstrin homology (PH) domains may act as membrane localization modules through specific interactions with phosphoinositide phospholipids. These interactions could represent responses to second messengers, with scope for regulation by soluble inositol polyphosphates. A biosensor-based assay was used here to probe interactions between PH domains and unilame
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9. CaspR: a web server for automated molecular replacement using homology modelling
Molecular replacement (MR) is the method of choice for X-ray crystallography structure determination when structural homologues are available in the Protein Data Bank (PDB). Although the success rate of MR decreases sharply when the sequence similarity between template and target proteins drops below 35% identical residues, it has been found that screening f
Oxford University Press.
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10. The molecular basis of ornithine transcarbamylase deficiency: modelling the human enzyme and the effects of mutations.
Human ornithine transcarbamylase is a trimer with 46% amino acid sequence homology to the catalytic subunit of E coli aspartate transcarbamylase. Secondary structure predictions, distributions of hydrophilic and hydrophobic regions, and the pattern of conserved residues suggest that the three dimensional structures of the two proteins are likely to be simila