Drug Design for AMP-Activated Protein Kinase Agonists in Silico

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题名:	Drug Design for AMP-Activated Protein Kinase Agonists in Silico
作者:	Chien-Yu Chen;Da-Tian Bau;Ming-Hsui Tsai;Yuan-Man Hsu;Tin-Yun Ho;Hung-Jin Huang;Yea-Huey Chang;Fuu-Jen Tsai;Chang-Hai Tsai;Chen, Calvin Yu-Chian
日期:	2009-10
上传时间:	2009-12-23 06:22:10 (UTC+0)
出版者:	Asia University
摘要:	AMP-activated protein kinase (AMPK) is a metabolite- sensed protein kinase in various eukaryotes. The activated AMPK regulates important proteins which cause diabetes, obesity, metabolic aberrant, and also breast cancer. In this study, the yeast AMPK structure was used as a template to model the human AMPK structure. By homology modeling, the reliable AMPK structure was built, and the active binding site was defined corresponding to X-ray crystal structure of yeast AMPK By virtual screening the database. All the potent ligands had the H-bond interaction in the key residues, same as the control. Thus, we suggested the phenylamide derivates might be the potent AMPK agonists.
關聯:	IEEE/ACM Transactions on Computational Biology and Bioinformatics
显示于类别:	[醫學暨健康學院] 期刊論文

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