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dc.contributor.authorBerkhout, Theo
dc.contributor.authorBlaney, F.E.
dc.contributor.authorBridges, A.M.
dc.contributor.authorCooper, D.G.
dc.contributor.authorForbes, I.T.
dc.contributor.authorGribble, A.D.
dc.contributor.authorGroot, P.H.E.
dc.contributor.authorHardy, A.
dc.contributor.authorIfe, R.J.
dc.contributor.authorKaur, R.
dc.contributor.authorMoores, K.E.
dc.contributor.authorShillito, H.
dc.contributor.authorWilletts, J.
dc.contributor.authorWitherington, J.
dc.date.accessioned2013-06-25T14:01:49Z
dc.date.available2013-06-25T14:01:49Z
dc.date.issued2003-09-11
dc.identifier.citationBerkhout , T , Blaney , F E , Bridges , A M , Cooper , D G , Forbes , I T , Gribble , A D , Groot , P H E , Hardy , A , Ife , R J , Kaur , R , Moores , K E , Shillito , H , Willetts , J & Witherington , J 2003 , ' CCR2: Characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach ' , Journal of Medicinal Chemistry , vol. 46 , no. 19 , pp. 4070-4086 . https://doi.org/10.1021/jm030862l
dc.identifier.issn0022-2623
dc.identifier.otherPURE: 1521458
dc.identifier.otherPURE UUID: 4241e1f8-02fa-42d3-89f2-c78969347e7b
dc.identifier.otherWOS: 000185232700014
dc.identifier.otherScopus: 0141678849
dc.identifier.urihttp://hdl.handle.net/2299/10931
dc.description.abstractWe describe here a classical molecular modeling exercise that was carried out to provide a basis for the design of novel antagonist ligands of the CCR2 receptor. Using a theoretical model of the CCR2 receptor, docking studies were carried out to define plausible binding modes for the various known antagonist ligands, including our own series of indole piperidine compounds. On the basis of these results, a number of site-directed mutations (SDM) were designed that were intended to verify the proposed docking models. From these it was clear that further refinements would be necessary in the model. This was aided by the publication of a crystal structure of bovine enabled us to define ligand-docking hypotheses that were in complete agreement with the results of the SDM experiments.en
dc.format.extent17
dc.language.isoeng
dc.relation.ispartofJournal of Medicinal Chemistry
dc.subjectDEFICIENT MICE
dc.subjectMONOCYTE CHEMOATTRACTANT PROTEIN-1
dc.subjectSMALL-MOLECULE
dc.subjectAGENTS
dc.subjectIN-VITRO
dc.subjectATHEROSCLEROTIC LESIONS
dc.subjectPOTENT
dc.subjectIDENTIFICATION
dc.subjectCHEMOKINE RECEPTORS
dc.subjectCOUPLED RECEPTORS
dc.titleCCR2: Characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approachen
dc.contributor.institutionDepartment of Human and Environmental Sciences
dc.contributor.institutionSchool of Life and Medical Sciences
dc.contributor.institutionHealth & Human Sciences Research Institute
dc.contributor.institutionDepartment of Pharmacy
dc.contributor.institutionMedicinal and Analytical Chemistry
dc.description.statusPeer reviewed
dc.relation.schoolSchool of Life and Medical Sciences
dcterms.dateAccepted2003-09-11
rioxxterms.versionofrecordhttps://doi.org/10.1021/jm030862l
rioxxterms.typeJournal Article/Review
herts.preservation.rarelyaccessedtrue


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