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Structure-based drug design of a novel family of chalcones as PPARα agonists: virtual screening, synthesis, and biological activities in vitro

   
@article{APS3745,
	author = {Xiang-hua Li and Han-jun Zou and An-hui Wu and Yang-liang Ye and Jian-hua Shen},
	title = {Structure-based drug design of a novel family of chalcones as PPARα agonists: virtual screening, synthesis, and biological activities  in vitro },
	journal = {Acta Pharmacologica Sinica},
	volume = {28},
	number = {12},
	year = {2016},
	keywords = {},
	abstract = {Aim: To design and synthesize a novel class of peroxisome proliferator-activated receptors (PPAR)α agonists, which is obtained by the combination of the classical fibrate \"head group\", a linker with appropriate length and a chalcone.
Methods: Thirty seven compounds were designed and identified employing the virtual screening approach. Six compounds were then selected for synthesis and bioassay according to the virtual screening results, structural similarity, and synthetic complexity.
Results: Six new compounds (4b and 4d-h) were synthesized and bioassayed. All were found to be potent PPARα agonists, compound 4 h being the most prominent with a 50% effective concentration value of 0.06 μmol/L.
Conclusion: This study provides a promising novel family of chalcones with a potential hypolipidemic effect.},
	issn = {1745-7254},	url = {http://www.chinaphar.com/article/view/3745}
}