ChemMedChem · 2011 · 22 citations · 14 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryEnzymologyEnzyme InhibitionStructure-activity Relationship AnalysisActive SitesBenzylic SubstitutionBinding Mode AnalysisBinding Mode OptimizationBinding Mode PredictionInhibitor ScreeningSelectivity
Picking your NOS: The effect of amine substitution at the 3-aminomethyl group of known iNOS inhibitor W1400 with mono- or disubstituted benzylic groups was evaluated. The o-nitro-benzyl derivative was identified as a potent inhibitor of iNOS, with good selectivity over eNOS. Docking simulations were performed to predict the binding mode of these derivatives in the iNOS and eNOS active sites. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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Cloning and Characterization of Inducible Nitric Oxide Synthase from Mouse Macrophages
Q W Xie, Hearn Jay Cho, Jimmy Calaycay et al. · Science · 1992 · 1.9K citations
Matthew Eldridge, Christopher W. Murray, T.R. Auton et al. · Journal of Computer-Aided Molecular Design · 1997 · 1.7K citations
Edward P. Garvey, Jeffrey A. Oplinger, Eric S. Furfine et al. · Journal of Biological Chemistry · 1997 · 851 citations · Full text