Search results for "Bioisostere"

showing 2 items of 2 documents

Synthesis and biological evaluation of 2-(3',4',5'-trimethoxybenzoyl)-3-N,N-dimethylamino benzo[b]furan derivatives as inhibitors of tubulin polymeri…

2008

Molecules that target microtubules have an important role in the treatment of cancer. A new class of inhibitors of tubulin polymerization based on the 2-(3,4,5-trimethoxybenzoyl)-2-dimethylamino-benzo[b]furan molecular skeleton was synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization, and cell cycle effects. The most promising compound in this series was 2-(3,4,5-trimethoxybenzoyl)-3-dimethylamino-6-methoxy-benzo[b]furan, which inhibits cancer cell growth at nanomolar concentrations and interacts strongly with tubulin by binding to the colchicine site.

StereochemistryClinical BiochemistryPharmaceutical Sciencemacromolecular substancesAntimitotic AgentsBiochemistryChemical synthesisArticlechemistry.chemical_compoundInhibitory Concentration 50MiceStructure-Activity RelationshipMicrotubuleFuranCell Line TumorDrug Discoverypolycyclic compoundsTumor Cells CulturedStructure–activity relationshipAnimalsHumansMolecular BiologyBenzofuransCell ProliferationCombretastatin A-4biologyTubulin ModulatorsOrganic ChemistryTubulin ModulatorsTubulinchemistrybiology.proteinMolecular MedicineBioisostereProtein Binding
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A frozen analogue approach to aminopyridinylimidazoles leading to novel and promising p38 MAP kinase inhibitors.

2012

In this study we report the design, synthesis, and biological evaluation of constrained aminopyridinylimidazoles as p38α MAP kinase inhibitors. The frozen analogue approach focused on the pyridinyl unit, using purine bioisosteres as constrained structure analogues. The identification of the most potent bioisostere was followed by a further derivatization to address hydrophobic region II. In combination with C-2 modifications of the imidazole core, we were able to design highly active inhibitors on the p38α MAP kinase. The inhibitor design presented herein represents a promising and highly efficient advancement of recent stages of development in this class of p38 MAP kinase inhibitors. In co…

biologyChemistryStereochemistryPyridinesp38 mitogen-activated protein kinasesEntropyImidazolesMolecular ConformationCombinatorial chemistryp38 Mitogen-Activated Protein KinasesMolecular conformationMolecular Docking Simulationchemistry.chemical_compoundStructure-Activity RelationshipPurinesMitogen-activated protein kinaseDrug DesignDrug Discoverybiology.proteinMolecular MedicineStructure–activity relationshipBioisostereBiological evaluationJournal of medicinal chemistry
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