ACS Medicinal Chemistry Letters · 2013 · 62 citations · 6 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsAssay DevelopmentLigand-based DesignPotency OptimizationQuantitative Structure-activity RelationshipsStructure-activity Relationship AnalysisAssayBiological Assay DevelopmentBiological Assay PotencyBiological Assay ValidationDipeptidyl PeptidasesDiscoveryIterative ExperimentationMedicinal Chemistry Applications
A novel integrated discovery platform has been used to synthesize and biologically assay a series of xanthine-derived dipeptidyl peptidase 4 (DPP4) antagonists. Design, synthesis, purification, quantitation, dilution, and bioassay have all been fully integrated to allow continuous automated operation. The system has been validated against a set of known DPP4 inhibitors and shown to give excellent correlation between traditional medicinal chemistry generated biological data and platform data. Each iterative loop of synthesis through biological assay took two hours in total, demonstrating rapid iterative structure-activity relationship generation.
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Matthias Eckhardt, Elke Langkopf, Michael Mark et al. · Journal of Medicinal Chemistry · 2007 · 284 citations · Full text
Bimbisar Desai, Karen Dixon, Elizabeth Farrant et al. · Journal of Medicinal Chemistry · 2013 · 142 citations · Full text
Lucie Guetzoyan, Nikzad Nikbin, Ian R. Baxendale et al. · Chemical Science · 2012 · 127 citations · Full text