Reducing without Side Effects? A Novel Strategy for Designing the PPAR Agonists

Author

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

Author_Institution

Dept. of Biol. Sci. & Technol., China Med. Univ., Taichung, Taiwan

fYear

2009

fDate

17-19 Oct. 2009

Firstpage

1

Lastpage

4

Abstract

In this investigation, the CoMFA and CoMSIA in the three-dimensional quantitative structure-activity relationship (3D-QSAR) 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

biochemistry; drugs; molecular biophysics; organic compounds; 3D-QSAR study; PPAR agonists; docking strategy; drugs; hypothesis model; peroxisome proliferator-activated receptor; pharmacophore feature; quantitative structure-activity relationship; selectivity factor; Asia; Biochemistry; Biological system modeling; Biology; Drugs; Hospitals; Laboratories; Lipidomics; Nanotechnology; Tail;

fLanguage

English

Publisher

ieee

Conference_Titel

Biomedical Engineering and Informatics, 2009. BMEI '09. 2nd International Conference on

Conference_Location

Tianjin

Print_ISBN

978-1-4244-4132-7

Electronic_ISBN

978-1-4244-4134-1

Type

conf

DOI

10.1109/BMEI.2009.5304861

Filename

5304861