Drug design for AMP-activated protein kinase agonists in Silico

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; Calvin Yu Chian Chen

doi:10.1109/BMEI.2009.5304901

Drug design for AMP-activated protein kinase agonists in Silico

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, Calvin Yu Chian Chen

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

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.

Original language	English
Title of host publication	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
DOIs	https://doi.org/10.1109/BMEI.2009.5304901
State	Published - 2009
Externally published	Yes
Event	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 - Tianjin, China Duration: 17 10 2009 → 19 10 2009

Publication series

Name	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Conference

Conference	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
Country/Territory	China
City	Tianjin
Period	17/10/09 → 19/10/09

Keywords

AICAR
AMP
AMPK

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1109/BMEI.2009.5304901

Cite this

Chen, C. Y., Bau, D. T., Tsai, M. H., Hsu, Y. M., Ho, T. Y., Huang, H. J., Chang, Y. H., Tsai, F. J., Tsai, C. H., & Chen, C. Y. C. (2009). Drug design for AMP-activated protein kinase agonists in Silico. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 Article 5304901 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). https://doi.org/10.1109/BMEI.2009.5304901

@inproceedings{2e9f7988131947eebbf68f32439452b7,

title = "Drug design for AMP-activated protein kinase agonists in Silico",

abstract = "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.",

keywords = "AICAR, AMP, AMPK",

author = "Chen, {Chien Yu} and Bau, {Da Tian} and Tsai, {Ming Hsui} and Hsu, {Yuan Man} and Ho, {Tin Yun} and Huang, {Hung Jin} and Chang, {Yea Huey} and Tsai, {Fuu Jen} and Tsai, {Chang Hai} and Chen, {Calvin Yu Chian}",

year = "2009",

doi = "10.1109/BMEI.2009.5304901",

language = "英语",

isbn = "9781424441341",

series = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",

booktitle = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",

note = "2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 ; Conference date: 17-10-2009 Through 19-10-2009",

}

Chen, CY, Bau, DT, Tsai, MH, Hsu, YM, Ho, TY, Huang, HJ, Chang, YH, Tsai, FJ, Tsai, CH & Chen, CYC 2009, Drug design for AMP-activated protein kinase agonists in Silico. in Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009., 5304901, Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, Tianjin, China, 17/10/09. https://doi.org/10.1109/BMEI.2009.5304901

Drug design for AMP-activated protein kinase agonists in Silico. / Chen, Chien Yu; Bau, Da Tian; Tsai, Ming Hsui et al.
Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5304901 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Drug design for AMP-activated protein kinase agonists in Silico

AU - Chen, Chien Yu

AU - Bau, Da Tian

AU - Tsai, Ming Hsui

AU - Hsu, Yuan Man

AU - Ho, Tin Yun

AU - Huang, Hung Jin

AU - Chang, Yea Huey

AU - Tsai, Fuu Jen

AU - Tsai, Chang Hai

AU - Chen, Calvin Yu Chian

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

KW - AICAR

KW - AMP

KW - AMPK

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DO - 10.1109/BMEI.2009.5304901

M3 - 会议稿件

AN - SCOPUS:74049138376

SN - 9781424441341

T3 - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

BT - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

T2 - 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Y2 - 17 October 2009 through 19 October 2009

ER -

Chen CY, Bau DT, Tsai MH, Hsu YM, Ho TY, Huang HJ et al. Drug design for AMP-activated protein kinase agonists in Silico. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5304901. (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). doi: 10.1109/BMEI.2009.5304901

Drug design for AMP-activated protein kinase agonists in Silico

Abstract

Publication series

Conference

Keywords

UN SDGs

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