Conformational preference for segetalins G and H, cyclic peptides with estrogen-like activity from seeds of Vaccaria segetalis.
Conformational preference for segetalins G and H, cyclic peptides with estrogen-like activity from seeds of Vaccaria segetalis.
复制标题
对 Segetalins G 和 H（来自王不留行种子的具有雌激素样活性的环肽）的构象偏好。
DOI：
10.1016/s0968-0896(97)00135-1
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发表时间：
1997
影响因子：
3.5
通讯作者：
H. Itokawa
中科院分区：
文献类型：
--
作者：
H. Morita;Y. Yun;K. Takeya;H. Itokawa
通过距离几何计算和能量最小化方法，确定了王不留行种子中具有雌激素样活性的环五肽segetalins G [cyclo（-Gly-Val-Lys-Tyr-Ala-）]和H [cyclo（-Gly-Tyr-Arg-Phe-Ser-）]在DMSO-d 6中的三维结构. segetalin G和segetalin H的骨架分别在Tyr 4-Ala 5和Arg 3-Phe 4-Ser 5处有一个β-转角和一个β-转角，前者在Tyr 4-Ala 5处有一个β Ⅱ-样转角，后者在Gly 1-Tyr 2处有一个β Ⅱ ′转角，后者在Arg 3-Phe 4-Ser 5处有一个γ-转角。距离比较分析的结果提出了雌激素样环肽segetalins的药效团模型。
Three-dimensional structures in DMSO-d6of segetalins G [cyclo (-Gly-Val-Lys-Tyr-Ala-)] and H [cyclo (-Gly-Tyr-Arg-Phe-Ser-)], cyclic pentapeptides from seeds of Vaccaria segetalis, showing estrogen-like activity, were determined by the distance geometry calculation and restrained energy minimization from NMR data. The backbone structure of segetalin G contains one β-turn: a β II-like turn at Tyr4-Ala5, and that of segetalin H one β-turn: a β II′ turn at Gly1-Tyr2and one γ-turn at Arg3-Phe4-Ser5sequence. The results of distance comparison analysis proposed a pharmacophore model of estrogen-like cyclic peptides, segetalins.