Homology Based Molecular Modeling
Mostrando 1-12 de 19 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. 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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3. Estudo da modelagem molecular do receptor canabinóide CB1 e suas interações com o ∆9 - THC / Molecular modeling study of CB1 cannabinoid receptor and its interaction with delta-9-THC
Marijuana (Cannabis sativa) is a widely used plant and its various applications have important benefits. The plant Cannabis sativa has been used by man for centuries for eating, medicinal practices and religious rituals. In human subjects, its effects include analgesia, alterations in perceptions, cognition, memory and psychomotor activity. The cannabinoid c
Publicado em: 2009
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4. Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes / Molecular modeling and structure activity relationship studies of the hnRNP K oncoprotein and ligands.
The Brazilian Project Genoma Câncer (PGHC) supported by FAPESP and the Ludwig Institute for Cancer Research, intended to identify the genes involved in the most common cases of cancer in Brazil. In this project about a million of gene sequences were identified. The major contribution was made in breast, colorectal and head and neck cancers. The results obta
Publicado em: 2008
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5. Molecular modeling of arylpiperazine compounds and their interactions with the 5-HT1A receptor / Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A
Selective serotonin reuptake inhibitors (SSRIs) are the most important class of antidepressants in current clinical use. However, they present the serious drawback of a delay of two to six weeks in the onset of therapeutic effect. Clinical studies have shown that when a 5-HT1A receptor antagonist is administrated along with a SSRI, an increase of extracellul
Publicado em: 2008
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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. Molecular Modeling Approaches for Determining Gene Function: application to a Putative Poly-A Binding Protein from Leishmania amazonensis (LaPABP)
The great expansion in the number of genome sequencing projects has revealed the importance of computational methods to speed up the characterization of unknown genes. These studies have been improved by the use of three dimensional information from the predicted proteins generated by molecular modeling techniques. In this work, we disclose the structure-fun
Memórias do Instituto Oswaldo Cruz. Publicado em: 2002-04
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8. 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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9. Molecular modeling and in vitro activity of an HIV-1-encoded glutathione peroxidase
Based on theoretical evidence, it has been proposed that HIV-1 may encode several selenoprotein modules, one of which (overlapping the env gp41-coding region) has highly significant sequence similarity to the mammalian selenoprotein glutathione peroxidase (GPx; EC 1.11.1.9). The similarity score of the putative HIV-1 viral GPx homolog relative to an aligned
National Academy of Sciences.
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10. Demonstration of the in vivo interaction of key cell death regulators by structure-based design of second-site suppressors
Demonstrating in vivo interaction of two important biomolecules and the relevance of the interaction to a biological process have been difficult issues in biomedical research. Here, we report the use of a homology modeling approach to establish the significance of protein interactions in governing the activation of programmed cell death in Caenorhabditi
The National Academy of Sciences.
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11. Structure-based design of an osteoclast-selective, nonpeptide Src homology 2 inhibitor with in vivo antiresorptive activity
Targeted disruption of the pp60src (Src) gene has implicated this tyrosine kinase in osteoclast-mediated bone resorption and as a therapeutic target for the treatment of osteoporosis and other bone-related diseases. Herein we describe the discovery of a nonpeptide inhibitor (AP22408) of Src that demonstrates in vivo antiresorptive activity. Based on a cocrys
The National Academy of Sciences.
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12. Evolutionary profiles from the QR factorization of multiple sequence alignments
We present an algorithm to generate complete evolutionary profiles that represent the topology of the molecular phylogenetic tree of the homologous group. The method, based on the multidimensional QR factorization of numerically encoded multiple sequence alignments, removes redundancy from the alignments and orders the protein sequences by increasing linear
National Academy of Sciences.