QSAR study and molecular docking on indirubin inhibitors of Glycogen Synthase Kinase-3
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چکیده
منابع مشابه
3D-QSAR and molecular docking studies on 3-anilino-4-arylmaleimide derivatives as glycogen synthase kinase-3β inhibitors.
Glycogen synthase kinase-3, a serine/threonine kinase, is a fascinating enzyme with diverse biological actions in intracellular signaling systems, making it an emerging target for diseases such as diabetes mellitus, cancer, chronic inflammation, bipolar disorders, and Alzheimer's disease. It is important to inhibit glycogen synthase kinase-3 selectively, and the net effect of the glycogen synth...
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Three closely related forms of glycogen synthase kinase 3 (GSK-3alpha, GSK-3beta and GSK-3beta2) have a major role in Wnt and Hedgehog signaling pathways and regulate the cell-division cycle, stem-cell renewal and differentiation, apoptosis, circadian rhythm, transcription and insulin action. A large body of evidence supports speculation that pharmacological inhibitors of GSK-3 could be used to...
متن کاملPLS (Partial Least Square) Study for GSK-3 (Glycogen synthase kinase-3) Inhibition by Indirubin Derivatives
GSK-3 (Glycogen synthase kinase-3) is a serine/threonine protein kinase involved in various physiological processes and its inhibitors have been evaluated as promising drug candidates for severe pathologies. In this paper a PLS regression analysis was used, to explore the relationship between field of descriptors (as independent variable) and biological activities (pIC50 as dependent variables)...
متن کاملA CoMFA Study of Glycogen Synthase Kinase 3 Inhibitors
Glycogen synthase kinase 3 (GSK-3) is a serine/threonine protein kinase that has recently emerged as a promising target in drug discovery. It is involved in multiple cellular processes and associated with the pathogenesis of several diseases. A three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis was performed on a series of GSK3 inhibitors to understand the structu...
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Pharmacophore development, 3D-QSAR and docking studies were performed on twenty eight pyrrolotriazine derivatives as Aurora A kinase inhibitors. Five point pharmacophores with one hydrogen bond acceptor (A2), two hydrogen bond donor (D8, D11), one positive ionic (P15) and one aromatic ring (R17) as pharmacophoric features were developed. Amongst them the Pharmacophore hypothesis ADDPR.55 yielde...
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ژورنال
عنوان ژورنال: Open Chemistry
سال: 2013
ISSN: 2391-5420
DOI: 10.2478/s11532-012-0133-z