Structure-activity relationship of the ring portion in backbone-cyclic C-terminal hexapeptide analogs of substance P - NMR and molecular dynamics

被引:0
|
作者
Behrens, S
Matha, B
Bitan, G
Gilon, C
Kessler, H
机构
[1] TECH UNIV MUNICH,INST ORGAN CHEM & BIOCHEM,LEHRSTUHL 2,D-85747 GARCHING,GERMANY
[2] HEBREW UNIV JERUSALEM,DEPT ORGAN CHEM,JERUSALEM,ISRAEL
关键词
backbone cyclization; conformational analysis; molecular dynamics; NMR spectroscopy; substance P;
D O I
暂无
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The conformations of two backbone-cyclized substance P analogs were derived from homo- and heteronuclear NMR measurements and molecular dynamics simulations carried out in DMSO. The analogs contain subtle variations in the ring chemistry and are compared with biologically active analogs previously examined. The correlation between conformation and activity is used to gain insight into the conformational requirements from the pharmacophore. (C) Munksgaard 1996.
引用
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页码:569 / 579
页数:11
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