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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
24
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pubmed:dateCreated |
2008-11-25
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pubmed:abstractText |
A virtual screening approach was used to identify new glycomimetics. The National Cancer Institute Diversity Set was docked into the carbohydrate binding site of the lectin concanavalin A (ConA). The resulting poses were analyzed and 19 molecules were tested for inhibition with an enzyme-linked lectin assay (ELLA). Eight of the 19 molecules inhibited ConA-carbohydrate binding. The two most potent inhibitors have IC(50) values that are an order of magnitude smaller than the monosaccharide methyl alpha-D-mannopyranoside.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
1464-3405
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pubmed:author |
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pubmed:issnType |
Electronic
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pubmed:day |
15
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pubmed:volume |
18
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
6573-5
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pubmed:meshHeading |
pubmed-meshheading:18990567-Amino Acid Motifs,
pubmed-meshheading:18990567-Binding Sites,
pubmed-meshheading:18990567-Carbohydrate Conformation,
pubmed-meshheading:18990567-Catalytic Domain,
pubmed-meshheading:18990567-Chemistry, Pharmaceutical,
pubmed-meshheading:18990567-Concanavalin A,
pubmed-meshheading:18990567-Crystallography, X-Ray,
pubmed-meshheading:18990567-Drug Design,
pubmed-meshheading:18990567-Fabaceae,
pubmed-meshheading:18990567-Inhibitory Concentration 50,
pubmed-meshheading:18990567-Lectins,
pubmed-meshheading:18990567-Methylmannosides,
pubmed-meshheading:18990567-Models, Chemical,
pubmed-meshheading:18990567-Molecular Conformation,
pubmed-meshheading:18990567-Protein Binding
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pubmed:year |
2008
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pubmed:articleTitle |
Rational design of novel glycomimetics: inhibitors of concanavalin A.
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pubmed:affiliation |
Department of Chemistry, 250 Forest Dr., Georgia Southern University, Statesboro, GA 30460-8064, USA. kwelch@georgiasouthern.edu
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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