Structure-based drug design of a novel family of chalcones as PPAR alpha agonists: virtual screening, synthesis, and biological activities in vitro
文献类型：期刊论文
| 作者 | Li, Xiang-hua; Zou, Han-jun; Wu, An-hui; Ye, Yang-liang ; Shen, Jian-hua
|
| 刊名 | ACTA PHARMACOLOGICA SINICA
 |
| 出版日期 | 2007-12 |
| 卷号 | 28期号:12页码:2040-2052 |
| 关键词 | peroxisome proliferator-activated receptors drug design virtual screening |
| ISSN号 | 1671-4083 |
| DOI | 10.1111/j.1745-7254.2007.00670.x |
| 文献子类 | Article |
| 英文摘要 | Aim: To design and synthesize a novel class of peroxisome proliferator-activated receptors (PPAR)alpha 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 PPAR alpha agonists, compound 4 h being the most prominent with a 50% effective concentration value of 0.06 mu mol/L. Conclusion: This study provides a promising novel family of chalcones with a potential hypolipidemic effect. |
| WOS关键词 | PROLIFERATOR-ACTIVATED RECEPTORS ; HYPOLIPIDEMIC DRUGS ; ACID ; DISCOVERY ; GAMMA ; METABOLISM ; EXPRESSION ; LIGANDS ; BINDING ; SERIES |
| WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| CSCD记录号 | CSCD:3089033 |
| WOS记录号 | WOS:000251327800024 |
| 出版者 | BLACKWELL PUBLISHING |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/273097]  |
| 专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Shen, Jian-hua |
| 作者单位 | Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Dis & Design Ctr, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Xiang-hua,Zou, Han-jun,Wu, An-hui,et al. Structure-based drug design of a novel family of chalcones as PPAR alpha agonists: virtual screening, synthesis, and biological activities in vitro[J]. ACTA PHARMACOLOGICA SINICA,2007,28(12):2040-2052. |
| APA | Li, Xiang-hua,Zou, Han-jun,Wu, An-hui,Ye, Yang-liang,&Shen, Jian-hua.(2007).Structure-based drug design of a novel family of chalcones as PPAR alpha agonists: virtual screening, synthesis, and biological activities in vitro.ACTA PHARMACOLOGICA SINICA,28(12),2040-2052. |
| MLA | Li, Xiang-hua,et al."Structure-based drug design of a novel family of chalcones as PPAR alpha agonists: virtual screening, synthesis, and biological activities in vitro".ACTA PHARMACOLOGICA SINICA 28.12(2007):2040-2052. |
入库方式： OAI收割
来源：上海药物研究所
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