2D QSAR Studies of Several Potent Aminopyridine, Anilinopyrimidine and Pyridine Carboxamide-based JNK Inhibitors

The c-Jan N-terminal kinases are members of the mitogen activated protein kinase family of signaling proteins. Amino pyridine based compounds, 4-anilino pyrimidine derivatives, and 2-pyridine carboxamide derivatives have been identified as potent JNK inhibitors with good cellular activity. In this s...

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Bibliographic Details
Published in:Indian journal of pharmaceutical sciences 2011-03, Vol.73 (2), p.165-170
Main Authors: Sharma, S, Bagchi, B, Mukhopadhyay, S, Bothra, A K
Format: Article
Language:English
Subjects:
Aminopyridines
Information theory
Insulin resistance
Kinases
Phosphotransferases
Physiological aspects
Pyrimidines
Research Paper
Statistical methods
Studies
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Summary:The c-Jan N-terminal kinases are members of the mitogen activated protein kinase family of signaling proteins. Amino pyridine based compounds, 4-anilino pyrimidine derivatives, and 2-pyridine carboxamide derivatives have been identified as potent JNK inhibitors with good cellular activity. In this study we calculated molecular topological and quantum chemical descriptors of 15 training compounds and three quantitative structure activity relationships models have been constructed. The significance of three models is judged on the basis of correlation, Fischer F test and quality factor (Q). This study is helpful for screening potent inhibitors of protein kinases.
ISSN:0250-474X
1998-3743
DOI:10.4103/0250-474X.91584