Reducing without side effects? A novel strategy for designing the PPAR agonists

Yea Huey Chang; Da Tian Bau; Ming Hsui Tsai; Yuan Man Hsu; Tin Yun Ho; Chien Yu Chen; Hung Jin Huang; Fuu Jen Tsai; Chang Hai Tsai; Calvin Yu Chian Chen

doi:10.1109/BMEI.2009.5304861

Reducing without side effects? A novel strategy for designing the PPAR agonists

Yea Huey Chang, Da Tian Bau, Ming Hsui Tsai, Yuan Man Hsu, Tin Yun Ho, Chien Yu Chen, Hung Jin Huang, Fuu Jen Tsai^*, Chang Hai Tsai, Calvin Yu Chian Chen

^*Corresponding author for this work

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

2 Scopus citations

Abstract

In this investigation, the CoMFA and CoMSIA in the three-dimensional quantitative structure-activity relationship (3DQSAR) studies were implemented to search for the pharmacophore features in each target receptor. QSAR pharmacophores hypothesis models were made from a series of ligands by their activity values. Besides, we made use of the docking strategy between the structures of each PPARs subtype. Eventually, selectivity factor is employed for us to search new drugs. By means of taking advantage of the results of 3D-QSAR studies and docking strategy, we search out the specific drugs fitting the two PPAR subtypes but repelling the other PPAR subtype effectively and selectively.

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.2009.5304861
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

3D-QSAR
CMSIA
CoMFA
Dual agonists
PPAR

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10.1109/BMEI.2009.5304861

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Chang, Y. H., Bau, D. T., Tsai, M. H., Hsu, Y. M., Ho, T. Y., Chen, C. Y., Huang, H. J., Tsai, F. J., Tsai, C. H., & Chen, C. Y. C. (2009). Reducing without side effects? A novel strategy for designing the PPAR agonists. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 Article 5304861 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). https://doi.org/10.1109/BMEI.2009.5304861

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title = "Reducing without side effects? A novel strategy for designing the PPAR agonists",

abstract = "In this investigation, the CoMFA and CoMSIA in the three-dimensional quantitative structure-activity relationship (3DQSAR) studies were implemented to search for the pharmacophore features in each target receptor. QSAR pharmacophores hypothesis models were made from a series of ligands by their activity values. Besides, we made use of the docking strategy between the structures of each PPARs subtype. Eventually, selectivity factor is employed for us to search new drugs. By means of taking advantage of the results of 3D-QSAR studies and docking strategy, we search out the specific drugs fitting the two PPAR subtypes but repelling the other PPAR subtype effectively and selectively.",

keywords = "3D-QSAR, CMSIA, CoMFA, Dual agonists, PPAR",

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

year = "2009",

doi = "10.1109/BMEI.2009.5304861",

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",

}

Chang, YH, Bau, DT, Tsai, MH, Hsu, YM, Ho, TY, Chen, CY, Huang, HJ, Tsai, FJ, Tsai, CH & Chen, CYC 2009, Reducing without side effects? A novel strategy for designing the PPAR agonists. in Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009., 5304861, 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.2009.5304861

Reducing without side effects? A novel strategy for designing the PPAR agonists. / Chang, Yea Huey; Bau, Da Tian; Tsai, Ming Hsui et al.
Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5304861 (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 - Reducing without side effects? A novel strategy for designing the PPAR agonists

AU - Chang, Yea Huey

AU - Bau, Da Tian

AU - Tsai, Ming Hsui

AU - Hsu, Yuan Man

AU - Ho, Tin Yun

AU - Chen, Chien Yu

AU - Huang, Hung Jin

AU - Tsai, Fuu Jen

AU - Tsai, Chang Hai

AU - Chen, Calvin Yu Chian

PY - 2009

Y1 - 2009

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AB - In this investigation, the CoMFA and CoMSIA in the three-dimensional quantitative structure-activity relationship (3DQSAR) studies were implemented to search for the pharmacophore features in each target receptor. QSAR pharmacophores hypothesis models were made from a series of ligands by their activity values. Besides, we made use of the docking strategy between the structures of each PPARs subtype. Eventually, selectivity factor is employed for us to search new drugs. By means of taking advantage of the results of 3D-QSAR studies and docking strategy, we search out the specific drugs fitting the two PPAR subtypes but repelling the other PPAR subtype effectively and selectively.

KW - 3D-QSAR

KW - CMSIA

KW - CoMFA

KW - Dual agonists

KW - PPAR

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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

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ER -

Chang YH, Bau DT, Tsai MH, Hsu YM, Ho TY, Chen CY et al. Reducing without side effects? A novel strategy for designing the PPAR agonists. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5304861. (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). doi: 10.1109/BMEI.2009.5304861

Reducing without side effects? A novel strategy for designing the PPAR agonists

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