Title :
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
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;
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
DOI :
10.1109/BMEI.2009.5304861
