Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists

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	Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists
	Niu YY(钮因尧) ; Yang LM(杨利民) ; Deng KM(邓可敏) ; Yao JH(姚建华) ; Zhu L(朱良) ; Chen CY(陈从英) ; Zhang M(张敏) ; Zhou JE(周金娥) ; Shen TX(沈天翔) ; Chen HZ(陈红专) ; Lu Y(陆阳)
刊名	Bioorg. Med. Chem. Lett.
	2007
卷号	17 期号:8 页码:2260-2266
ISSN号	0960-894X
其他题名	哌啶基哌啶衍生物作为毒蕈碱样拮抗剂M1，M2中M2选择性的定量结构选择性关系研究
通讯作者	姚建华 ; 陆阳
英文摘要	Muscarinic M2 receptor antagonists with high subtype selectivity (M2/M1) will decrease the toxicity in central nervous system in treatment of AD. The exploration of quantitative structure-selectivity relationship (QSSR) to muscarinic M2 receptor antagonists will provide design information for drug with fewer side effects. In this paper, CoMFA models of pK(i)(M1), pK(i)(M2) wand p[K-i(M2)/K-i(M1)] (pK(i)(M2) - pK(i)(M1)) were used to study the subtype selectivity (M2/M1) of piperidinyl piperidine derivatives as muscarinic M2 subtype receptor antagonists. The parameters of the three models are: 0.633, 0.636 and 0.726 for cross-validated r(2) (r(cv)(2)), 0.109, 0.204 and 0.09 for the Standard error of estimate (SD), respectively. The results show the model of p[K-i(M2)/K-i(M1)] is the best one for design of piperidinyl piperidine derivatives as muscarinic antagonists with high subtype selectivity (M2/M1). (c) 2007 Elsevier Ltd. All rights reserved.
学科主题	计算机化学与化学信息学
收录类别	SCI
原文出处	http://dx.doi.org/10.1016/j.bmcl.2007.01.058
语种	英语
WOS记录号	WOS:000246045900029
公开日期	2013-03-11
内容类型	期刊论文
源URL	[http://202.127.28.38/handle/331003/23724]
专题	上海有机化学研究所_计算机化学与化学信息学研究室
推荐引用方式 GB/T 7714	Niu YY,Yang LM,Deng KM,et al. Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists[J]. Bioorg. Med. Chem. Lett.,2007,17(8):2260-2266.
APA	钮因尧.,杨利民.,邓可敏.,姚建华.,朱良.,...&陆阳.(2007).Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists.Bioorg. Med. Chem. Lett.,17(8),2260-2266.
MLA	钮因尧,et al."Quantitative structure-selectivity relationship for M2 selectivity between M1 and M2 of piperidinyl piperidine derivatives as muscarinic antagonists".Bioorg. Med. Chem. Lett. 17.8(2007):2260-2266.