Journal of Natural Products · 2006 · 57 citations · 19 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryMolecular PharmacologyStructure-activity RelationshipsBioinorganic ChemistryEnzyme InhibitionLigand BindingReceptor PharmacologyReceptor-ligand InteractionsStructure-activity Relationship AnalysisChemokine PharmacologyChemokine Receptor AntagonismChemokine Receptor PharmacologyCrystal Structure DeterminationG Protein-coupled Chemokine ReceptorsLigand-binding Assay ValidationMolecular Structure DeterminationRelative Configuration Determination
Two novel chemokine receptor CCR-5 inhibitors, Sch 210971 (1) and Sch 210972 (2), were isolated from the fungal fermentation broth of Chaetomium globosum by normal- and reversed-phase HPLC purifications. The structure determination of 1 and 2 was accomplished on the basis of UV, MS, and NMR spectral data analyses including COSY, NOESY, HMQC, and HMBC experiments. The structure and relative configuration of 2 were determined unequivocally by X-ray crystallographic analysis. The major component 2 demonstrated a potent inhibitory activity of IC(50) = 79 nM in the CCR-5 receptor in vitro binding assay.
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Patrick Dorr, Mike Westby, Susan Dobbs et al. · Antimicrobial Agents and Chemotherapy · 2005 · 1.1K citations