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	非肽类SARS冠状病毒3CL蛋白酶抑制剂的设计与活性表征; Design and bioassay of non-peptidic inhibitors of SARS coronavirus 3C-like proteinase
	刘莹 ; 郑腾飞 ; 金凤 ; 周璐 ; 刘振明 ; 魏平 ; 来鲁华
	2007
关键词	SARS冠状病毒3CL蛋白酶 虚拟筛选 非肽抑制剂 活性测试 SARS coronavirus 3C-like proteinase virtual screen non-peptidic inhibitor bioassay
英文摘要	SARS冠状病毒3CL蛋白酶是SARS病毒复制过程中的主要蛋白酶,针对其开展药物设计有望得到有效的抗SARS病毒药物.本文基于SARS冠状病毒3CL蛋白酶的三维结构,对现有化学试剂及临床用药数据库进行虚拟筛选,选出可能对SARS冠状病毒3CL蛋白酶有抑制的非肽化合物进行初步活性测试,并研究了已知的人鼻病毒3C蛋白酶抑制剂对SARS冠状病毒3CL蛋白酶的活性,合成了两种母环的衍生物,得到靛红和哌嗪两类SARS冠状病毒3CL蛋白酶的抑制剂,其中一个靛红类化合物的IC50为0.76μmol·L-1;而抗组胺药哌嗪类化合物对SARS冠状病毒3CL蛋白酶及细胞培育的SARS病毒的抑制作用,提示了老药可以...; Severe acute respiratory syndrome(SARS) coronavirus 3C-like proteinase is the key enzyme for the maturation of the virus and has been proposed to be a key target for structure based drug design against SARS. In this paper, based on the three-dimensional structure of SARS coronavirus 3C-like proteinase, the available chemical database (ACD) and clinical drug databases were used for virtual screening, and the candidate non-peptidic compounds were purchased or synthesized. Several human rhinovirus (HRV) 3C protease inhibitors were also synthesized. All the compounds were tested against SARS 3C-like proteinase bioassay. Two types of compounds including hydroxyzine dihydrochloride, a well known antihistamine, were found to inhibit the enzyme and SARS virus in cell cultivating; one of the isatin compounds shows significant inhibition with an IC50 of (0.76 +/- 0.02) mu mol center dot L-1 . The primary result. suggested that drugs in clinical usage can be developed for new purpose.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000249347100031&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; SCI(E); 中文核心期刊要目总览(PKU); 中国科技核心期刊(ISTIC); 中国科学引文数据库(CSCD); 3; 16; 1707-1712; 65
语种	中文
出处	SCI ; 万方 ; 知网
出版者	化学学报
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/79450]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	刘莹,郑腾飞,金凤,等. 非肽类SARS冠状病毒3CL蛋白酶抑制剂的设计与活性表征, Design and bioassay of non-peptidic inhibitors of SARS coronavirus 3C-like proteinase. 2007-01-01.

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