Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen
文献类型：期刊论文
| 作者 | Qiu, Shunchen1; Chen, Fangjin2; Liu, Ying1,2; Lai, Luhua1,2 |
| 刊名 | CHEMICAL BIOLOGY & DRUG DESIGN
 |
| 出版日期 | 2014-08-01 |
| 卷号 | 84期号:2页码:216-222 |
| 关键词 | Continuous Fluorescence Assay Drug Design Novel Inhibitor Secretory Phospholipase a(2) Virtual Screen |
| ISSN号 | 1747-0277 |
| DOI | 10.1111/cbdd.12307 |
| 英文摘要 | Human non-pancreatic secretory phospholipase A(2) was reported to be associated with inflammatory diseases and considered as a potential drug target for inflammation and other related disease treatment. Although many human non-pancreatic secretory phospholipase A(2) inhibitors were reported, few entered into the drug development stage due to various problems. In this study, we discovered seven novel human nonpancreatic secretory phospholipase A(2) inhibitors using virtual screen. Of the 99 compounds tested by continuous fluorescence assay, seven are potent human nonpancreatic secretory phospholipase A(2) inhibitors with micromolar IC50 values. Typical molecules include 9-fluorenylmethoxycarbonyl protected alpha-phenylalanine derivatives and azo compounds, which may serve as novel scaffold for developing potent human non-pancreatic secretory phospholipase A(2) inhibitors. These compounds bind to human non-pancreatic secretory phospholipase A(2) by interacting with the catalytic calcium ion and the hydrophobic regions in the substratebinding pocket. |
| 语种 | 英语 |
| WOS记录号 | WOS:000339435100011 |
| 出版者 | WILEY-BLACKWELL |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/52025]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Lai, Luhua |
| 作者单位 | 1.Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100871, Peoples R China 2.Peking Univ, Ctr Quantitat Biol, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Qiu, Shunchen,Chen, Fangjin,Liu, Ying,et al. Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen[J]. CHEMICAL BIOLOGY & DRUG DESIGN,2014,84(2):216-222. |
| APA | Qiu, Shunchen,Chen, Fangjin,Liu, Ying,&Lai, Luhua.(2014).Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen.CHEMICAL BIOLOGY & DRUG DESIGN,84(2),216-222. |
| MLA | Qiu, Shunchen,et al."Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen".CHEMICAL BIOLOGY & DRUG DESIGN 84.2(2014):216-222. |
入库方式： OAI收割
来源：化学研究所
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