【摘 要】
：
The c-Jun N-terminal kinase(JNK) is involved in a variety of important cellular physiological processes and aberrant JNK activity is associated with a wide
【机 构】
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College of Life Science and Bioengineering,Beijing University of Technology,Beijing 100124
【出 处】
：
第九届IUPAC化学生物学国际研讨会暨第八届世界华人药物化学研讨会
论文部分内容阅读
The c-Jun N-terminal kinase(JNK) is involved in a variety of important cellular physiological processes and aberrant JNK activity is associated with a wide variety of human diseases.1 The ligand-based and receptor-based alignment rules were used to build 3D-QSAR models2,3 for a series of N-benzyl isatin oximes analogues as JNK3 Inhibitors.4 The best models were obtained for the receptor-based alignment with a CoMFA standard model(q2=0.636,r2=0.942,r2pred=0.748) and with a CoMSIA model combined steric(S),electrostatic(E),and hydrogen bond donor(D),hydrogen bond acceptor(A) fields (q2=0.759,r2=0.966,r2pred=0.703).
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