Search results for "5-b]indole"

showing 2 items of 2 documents

Design, Synthesis and Biological Evaluation of 7-Chloro-9

2019

Glycogen synthase kinase-3β (GSK-3β) represents a relevant drug target for the treatment of neurodegenerative pathologies including Alzheimer’s disease. We herein report on the optimization of a novel class of GSK-3β inhibitors based on the tofacitinib-derived screen hit 3-((3R,4R)-3-((7-chloro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile (1). We synthesized a series of 19 novel 7-chloro-9H-pyrimido[4,5-b]indole-based derivatives and studied their structure–activity relationships with focus on the cyanoacetyl piperidine moiety. We unveiled the crucial role of the nitrile group and its importance for the activity of this compound series. A successfu…

Glycogen synthase kinase-3βBinding SitesGlycogen Synthase Kinase 3 betatofacitinibDose-Response Relationship DrugMolecular Structurekinase inhibitorMolecular Conformationprotein kinaseChemistry Techniques SyntheticMolecular Dynamics SimulationArticle7-chloro-9H-pyrimido[45-b]indoleEnzyme ActivationMolecular Docking SimulationStructure-Activity RelationshipAdenosine TriphosphateDrug DesignHumansEnzyme InhibitorsHydrophobic and Hydrophilic InteractionsProtein Kinase InhibitorsProtein BindingMolecules (Basel, Switzerland)
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Synthesis, X-ray Single-Crystal Analysis, and Anticancer Activity Evaluation of New Alkylsulfanyl-Pyridazino[4,5-b]indole Compounds as Multitarget In…

2022

The alkylation of 3,5-dihydro-4H-pyridazino[4,5-b]indole-4-thione with benzyl bromide, ethyl chloroacetate, and allyl bromide in the presence of potassium carbonate (K2CO3) yielded new alkylsulfanylpyridazino[4,5-b]indole derivatives (i.e., compounds 4–6). Hydrazinolysis of ester 6 resulted in hydrazide 7. The structure of compound 6 was verified by X-ray single-crystal analysis. Among the synthesized compounds, compound 6 exhibited the most promising cytotoxicity toward MCF-7 cells with an IC50 value of 12 µM. It showed potential inhibition activity toward EGFR, PI3K, and AKT in MCF-7 cells, with 0.26-, 0.49-, and 0.31-fold reductions in concentration compared to an untreated c…

Inorganic Chemistrypyridazino[45-b]indole; alkylation; anticancer activity; X-ray single crystalkemiallinen synteesianticancer activitybioaktiiviset yhdisteetGeneral Chemical Engineeringpyridazino[45-b]indoleGeneral Materials Scienceheterosykliset yhdisteetCondensed Matter PhysicsalkylationröntgenkristallografiaX-ray single crystal
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