Source:http://linkedlifedata.com/resource/pubmed/id/20021407
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
2
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pubmed:dateCreated |
2009-12-21
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pubmed:abstractText |
Parkinson's disease (PD) is a neurodegenerative disorder of central nervous system (CNS) that impaired the patient motor skills, speech and other functions. Adenosine A2A receptors have a unique cellular distribution in the neuron, which is used as a potential target for PD. Homology modeling was used to construct the 3-D structure of A2A using the known template (PDB: 2VT4), and the stereochemical quality was validated. Several effective antagonist drugs were selected and active amino acid residues in A2A were targeted on the basis of robust binding affinity between protein-drug interactions in molecular docking. Six antagonists, Bromocriptine, Cabergoline, Etilevodopa, Lysuride, Melevodopa and Pramipexole, were found more potent for binding and the active amino acids residues were identified (http://www.rcsb.org/pdb/) in A2A receptor. It could be used as the basis for rationale designing of novel antagonist drugs against Parkinson's disease.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Jul
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pubmed:issn |
1874-6128
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:volume |
2
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
127-34
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pubmed:dateRevised |
2010-11-18
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pubmed:meshHeading |
pubmed-meshheading:20021407-Adenosine A2 Receptor Antagonists,
pubmed-meshheading:20021407-Amino Acid Sequence,
pubmed-meshheading:20021407-Antiparkinson Agents,
pubmed-meshheading:20021407-Binding Sites,
pubmed-meshheading:20021407-Computer-Aided Design,
pubmed-meshheading:20021407-Databases, Genetic,
pubmed-meshheading:20021407-Drug Design,
pubmed-meshheading:20021407-Humans,
pubmed-meshheading:20021407-Imaging, Three-Dimensional,
pubmed-meshheading:20021407-Models, Molecular,
pubmed-meshheading:20021407-Molecular Sequence Data,
pubmed-meshheading:20021407-Molecular Structure,
pubmed-meshheading:20021407-Protein Conformation,
pubmed-meshheading:20021407-Receptors, Adenosine A2,
pubmed-meshheading:20021407-Reproducibility of Results
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pubmed:year |
2009
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pubmed:articleTitle |
Homology modeling of adenosine A2A receptor and molecular docking for exploration of appropriate potent antagonists for treatment of Parkinson's disease.
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pubmed:affiliation |
Bioinformatics Centre, Biotech Park, Lucknow, India.
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pubmed:publicationType |
Journal Article,
Comparative Study
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