Journal of Medicinal Chemistry · 2010 · 24 citations · 24 references
MedicineMedicinal ChemistryPharmacologyAllergyDrug DiscoveryMolecular PharmacologyLigand BindingVitamin ChemistryVitamin DVitamin D DisordersVitamin D MetabolismAllosteric AntagonismHormonal PharmacologyVitamin D Analog TherapyVitamin D AnalogsVitamin D AnaloguesVitamin D PhysiologyVitamin D Receptor InteractionsVitamin D Receptors
Vitamin D receptor (VDR) antagonists have therapeutic potential in treatment of allergic conditions and hypercalcemia driven by granulomatous diseases. We have identified an o-aminoanilide analogue of the hormonal form of vitamin D with a dienyl side chain that functions as a strong VDR antagonist. Modeling studies indicate that antagonism arises from side chain rigidity, when compared to a more flexible saturated analogue, which interferes with H12 folding/alignment.
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Development and testing of a general amber force field
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