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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
9
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pubmed:dateCreated |
2007-4-26
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pubmed:abstractText |
The CRF antagonist pharmacophore is a heterocyclic ring bearing a critical hydrogen-bond acceptor nitrogen and an orthogonal aromatic ring. CRFR1 antagonists have shown a 40-fold and 200-fold loss in potency against the CRFR1 H199V and M276I mutant receptors, suggesting key interactions with these residues. We have derived a two component computational model that correlates CRFR1 binding affinity within the reported series to antagoinst/H199 complexation energy and M276 hydrophobic contacts.
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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 |
May
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pubmed:issn |
0022-2623
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pubmed:author |
pubmed-author:CombsAndrew PAP,
pubmed-author:DavisAmy LAL,
pubmed-author:DzierbaCarolyn DCD,
pubmed-author:EbeltoftSarah MSM,
pubmed-author:GilliganPaul JPJ,
pubmed-author:Kasireddy-PolamPadmajaP,
pubmed-author:KlaczkiewiczJohn DJD,
pubmed-author:MolskiThaddeus FTF,
pubmed-author:PechulisAnthony DAD,
pubmed-author:RafalskiMariaM,
pubmed-author:SweetMark PMP,
pubmed-author:TakvorianAmy GAG,
pubmed-author:TebbenAndrew JAJ,
pubmed-author:TrainorGeorge LGL,
pubmed-author:WildeRichard GRG,
pubmed-author:WooAlex MAM,
pubmed-author:YangZhicaiZ,
pubmed-author:ZaczekRobert CRC,
pubmed-author:ZhangGeG
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pubmed:issnType |
Print
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pubmed:day |
3
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pubmed:volume |
50
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
2269-72
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pubmed:meshHeading |
pubmed-meshheading:17402721-Animals,
pubmed-meshheading:17402721-Choroid Plexus,
pubmed-meshheading:17402721-Frontal Lobe,
pubmed-meshheading:17402721-Models, Molecular,
pubmed-meshheading:17402721-Pteridines,
pubmed-meshheading:17402721-Pyridazines,
pubmed-meshheading:17402721-Quantitative Structure-Activity Relationship,
pubmed-meshheading:17402721-Radioligand Assay,
pubmed-meshheading:17402721-Rats,
pubmed-meshheading:17402721-Receptors, Corticotropin-Releasing Hormone,
pubmed-meshheading:17402721-Swine
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pubmed:year |
2007
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pubmed:articleTitle |
Dihydropyridopyrazinones and dihydropteridinones as corticotropin-releasing factor-1 receptor antagonists: structure-activity relationships and computational modeling.
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pubmed:affiliation |
Discovery Chemistry, Neuroscience Biology, Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, Wallingford, Connecticut 06492, USA.
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pubmed:publicationType |
Journal Article,
In Vitro
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