Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach
文献类型：期刊论文
| 作者 | Ni, Shuaishuai3; Yuan, Yaxia1,2; Huang, Jin3; Mao, Xiaona3; Lv, Maosheng3; Zhu, Jin3; Shen, Xu3,4 ; Pei, Jianfeng1,2; Lai, Luhua1,2; Jiang, Hualiang3,4
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| 刊名 | JOURNAL OF MEDICINAL CHEMISTRY
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| 出版日期 | 2009-09-10 |
| 卷号 | 52期号:17页码:5295-5298 |
| ISSN号 | 0022-2623 |
| DOI | 10.1021/jm9008295 |
| 文献子类 | Article |
| 英文摘要 | This work describes an integrated approach of de novo drug design, chemical synthesis, and bioassay for quick identification of a series of novel small molecule cyclophilin A (CypA) inhibitors (1-3). The activities or the two most potent CypA inhibitors (3h and 3i) are 2.59 and 1.52 nM, respectively, which are about 16 and 27 times more potent than that of cyclosporin A. This study clearly demonstrates the power of our de novo drug design strategy and the related program LigBuilder 2.0 in drug discovery. |
| WOS关键词 | CYTOSOLIC BINDING-PROTEIN ; BIOLOGICAL EVALUATION ; CHEMICAL INHIBITORS ; IMMUNOPHILINS ; LIGANDS ; CALCINEURIN ; ISOMERASES ; COMPLEXES ; BIOASSAY ; CELLS |
| 资助项目 | National Natural Science Foundation of China[90813005] ; 863 Hi-Tech Program of China[2006AA020400] ; 863 Hi-Tech Program of China[2006AA02Z337] ; 863 Hi-Tech Program of China[2007-AA02Z147] ; China 111 Project[B07023] ; Shanghai Rising-Star Program[07QA14013] ; Shanghai Pujiang Program[PJ200700247] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000269655500002 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279132]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Pei, Jianfeng |
| 作者单位 | 1.Peking Univ, Ctr Theoret Biol, Beijing 100871, Peoples R China; 2.Peking Univ, Coll Chem & Chem Engn, Coll Chem,BNLMS, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China; 3.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ni, Shuaishuai,Yuan, Yaxia,Huang, Jin,et al. Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach[J]. JOURNAL OF MEDICINAL CHEMISTRY,2009,52(17):5295-5298. |
| APA | Ni, Shuaishuai.,Yuan, Yaxia.,Huang, Jin.,Mao, Xiaona.,Lv, Maosheng.,...&Li, Jian.(2009).Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach.JOURNAL OF MEDICINAL CHEMISTRY,52(17),5295-5298. |
| MLA | Ni, Shuaishuai,et al."Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach".JOURNAL OF MEDICINAL CHEMISTRY 52.17(2009):5295-5298. |
入库方式： OAI收割
来源：上海药物研究所
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