Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies
文献类型：期刊论文
| 作者 | Liang, Zhongjie2; Zhang, Liying3; Li, Lianchun2; Liu, Jun4; Li, Hongling5; Zhang, Luyong4; Chen, Limin2; Cheng, Keguang3; Zheng, Mingyue2 ; Wen, Xiaoan3
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| 刊名 | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
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| 出版日期 | 2011-06 |
| 卷号 | 46期号:6页码:2011-2021 |
| 关键词 | 3D-QSAR Pentacyclic triterpenes Glycogen phosphorylase |
| ISSN号 | 0223-5234 |
| DOI | 10.1016/j.ejmech.2011.02.053 |
| 文献子类 | Article |
| 英文摘要 | Naturally occurring pentacyclic triterpenes (PT), a novel class of inhibitors against glycogen phosphorylase (GP), hold promise for the treatment of type-2 diabetes and other diseases with disorders in glycogen metabolism. To identify novel and more potent GP inhibitors, the receptor-based comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) approaches were performed to investigate the quantitative structure activity relationships (QSAR) among 106 PT analogues. The validated models demonstrated that the elongated or bulky substitutions in C17 position and/or C2, C3 positions are favorable. Then based on the structural information extracted from these models, 56 derivatives were synthesized and biochemically tested in this study. The IC(50) value of the most potent compound P50 was found to be 1.1 mu M. (C) 2011 Elsevier Masson SAS. All rights reserved. |
| WOS关键词 | OLEANOLIC ACID-DERIVATIVES ; TYPE-2 DIABETES THERAPY ; BIOLOGICAL EVALUATION ; ANTIDIABETIC AGENTS ; EFFICIENT ACCESS ; DISCOVERY ; DESIGN |
| 资助项目 | National Natural Science Foundation of China[20720102040] ; National Natural Science Foundation of China[20972174] ; National Natural Science Foundation of China[30672523] ; National Natural Science Foundation of China[91029704] ; National Natural Science Foundation of China[90713037] ; State Key Program of Basic Research of China[2009CB918502] ; National ST Major Project[2009ZX09501-001] ; Hi-Tech Research and Development program of China[2006AA020404] ; Shanghai Committee of Science and Technology[10410703900] ; Guangdong Science and Technology Department[2010A030100006] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000291118600008 |
| 出版者 | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278516]  |
| 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 | Luo, Cheng |
| 作者单位 | 1.Soochow Univ, Ctr Syst Biol, Suzhou 215006, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China; 3.China Pharmaceut Univ, Coll Pharm, Ctr Drug Discovery, Nanjing 21009, Peoples R China; 4.China Pharmaceut Univ, Jiangsu Ctr Drug Screening, Nanjing 210038, Peoples R China; 5.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Liang, Zhongjie,Zhang, Liying,Li, Lianchun,et al. Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2011,46(6):2011-2021. |
| APA | Liang, Zhongjie.,Zhang, Liying.,Li, Lianchun.,Liu, Jun.,Li, Hongling.,...&Sun, Hongbin.(2011).Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,46(6),2011-2021. |
| MLA | Liang, Zhongjie,et al."Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 46.6(2011):2011-2021. |
入库方式： OAI收割
来源：上海药物研究所
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