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3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells

Title
3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells
Authors
Kim M.-H.Ryu J.-S.Hah J.-M.
Ewha Authors
류재상
SCOPUS Author ID
류재상scopus
Issue Date
2013
Journal Title
Bioorganic and Medicinal Chemistry Letters
ISSN
0960-894XJCR Link
Citation
vol. 23, no. 6, pp. 1639 - 1642
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
JNKs (c-Jun N-terminal kinases) have the potential to serve as a therapeutic target for various inflammatory, vascular, neurodegenerative, metabolic and oncological diseases. In particular, ATP-competitive JNK3 inhibitors act as neuroprotective agents. Here we introduce 1,2-diaryl-1H- benzimidazole derivatives as selective JNK3 inhibitors from among our in-house compounds and describe our elucidation of their SAR using 3D-QSAR models. A predictive CoMFA model (q2 = 0.795, r2 = 0.931) and a CoMSIA model (q2 = 0.700, r2 = 0.937) were used to describe the non-linearly combined affinity of each functional group in the inhibitors. © 2013 Elsevier Ltd. All rights reserved.
DOI
10.1016/j.bmcl.2013.01.082
Appears in Collections:
약학대학 > 약학과 > Journal papers
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