Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual   Screen

doi:10.1111/cbdd.12307

CORC > 北京大学 > 化学与分子工程学院

	Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen
	Qiu, Shunchen ; Chen, Fangjin ; Liu, Ying ; Lai, Luhua
刊名	chemical biology drug design
	2014
关键词	continuous fluorescence assay drug design novel inhibitor secretory phospholipase A(2) virtual screen INFLAMMATORY DISEASES INDOLE INHIBITORS GROUP IIA POTENT DOCKING INACTIVATION AGENTS SERUM MODEL
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.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000339435100011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Biochemistry & Molecular Biology; Chemistry, Medicinal; SCI(E); PubMed; 1; ARTICLE; lhlai@pku.edu.cn; 2; 216-222; 84
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/149698]
专题	化学与分子工程学院生命科学学院
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.
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.
MLA	Qiu, Shunchen,et al."Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen".chemical biology drug design (2014).