Interaction models of 3-methylfentanyl derivatives with mu opioid receptors

	Interaction models of 3-methylfentanyl derivatives with mu opioid receptors
	Rong, SB; Zhu, YC; Jiang, HL; Wang, QM; Zhao, SR; Chen, KX; Ji, RY
刊名	ACTA PHARMACOLOGICA SINICA
	1997-03
卷号	18 期号:2 页码:128-132
关键词	3-methylfentanyl ohmefentanyl three-dimensional quantitative structure-activity relationship comparative molecular field analysis interaction models mu opioid receptors
ISSN号	0253-9756
文献子类	Article
英文摘要	AIM: To study the interaction model of 3-methylfentanyl derivatives with mu opioid receptor. METHODS: After a systematic conformational search, a three-dimensional quantitative structure-activity relationship study was carried,out with comparative molecular field analysis (CoMFA). RESULTS: 1) The 6 CoMFA models had good predictive values and each model corresponded to the minimum-energy conformations of 13 compounds studied; 2) The important geometric parameters of mu pharmacophore d(1)(Angstrom), d(2)(Angstrom), d(3)(Angstrom), d(4)(Angstrom), d(5)(Angstrom), and d(6)(Angstrom) were 5.2, 5.4, 4.9, 10.6, 10.2, and 5,8 in Model A; 5.2, 6.5, 3.6, 10.6, 11.6, and 5.8 in Model B; 5.2, 4.6, 4.9, 11.6, 9.2, and 6.5 in Model C; 5.2, 5.4, 4.9, 10.5, 10.3, and 5.8 in Model D; 3.6, 5.4, 4.9, 5.7, 7.5, and 5.7 in Model E; 5.2, 4.7, 4.9, 11.2, 9.5, and 6.4 in Model F, respectively. CONCLUSIONS: The several bioactive conformations of fentanyl analogs possibly existed and did not need to be the absolute minimum-energy conformation, each of which was involved in the interaction with mu opioid receptor.
WOS关键词	BINDING
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
出版者	ACTA PHARMACOLOGICA SINICA
WOS记录号	WOS:A1997WM32200009
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/274919]
专题	中国科学院上海药物研究所
通讯作者	Rong, SB
作者单位	CHINESE ACAD SCI,SHANGHAI INST MAT MED,SHANGHAI 200031,PEOPLES R CHINA.
推荐引用方式 GB/T 7714	Rong, SB,Zhu, YC,Jiang, HL,et al. Interaction models of 3-methylfentanyl derivatives with mu opioid receptors[J]. ACTA PHARMACOLOGICA SINICA,1997,18(2):128-132.
APA	Rong, SB.,Zhu, YC.,Jiang, HL.,Wang, QM.,Zhao, SR.,...&Ji, RY.(1997).Interaction models of 3-methylfentanyl derivatives with mu opioid receptors.ACTA PHARMACOLOGICA SINICA,18(2),128-132.
MLA	Rong, SB,et al."Interaction models of 3-methylfentanyl derivatives with mu opioid receptors".ACTA PHARMACOLOGICA SINICA 18.2(1997):128-132.