物理化学学报 >> 1990, Vol. 6 >> Issue (05): 562-567.doi: 10.3866/PKU.WHXB19900510

研究论文 上一篇    下一篇

抗脂解活性的人参十四肽的结构预测

张富贵; 朱敏慧; 汪大伟; 张今; 张红缨   

  1. 中国科学院电子学研究所,北京;吉林大学酶工程实验室,长春
  • 收稿日期:1989-01-04 修回日期:1990-03-20 发布日期:1990-10-15
  • 通讯作者: 朱敏慧

Structural Prediction on the Anti-lipolytic Polypeptide of Ginseng

Zhang Fu-Gui; Zhu Min-Hui; Wang Da-Wei; Zhang Jin; Zhang Hong-Ying   

  1. Electronics Institute, Academia Sinica, Beijing; Laboratory of Enzyme Engineering, Jilin University, Changchun
  • Received:1989-01-04 Revised:1990-03-20 Published:1990-10-15
  • Contact: Zhu Min-Hui

摘要: 本文对抗脂解活性的人参多肽的结构进行了分析. 在一级结构的基础上预测了其二级结构含有较多的α螺旋, 后接一段无规卷曲. 应用分子力学方法, 结合晶体数据库信息, 计算了人参中抗脂解十四肽分子的相对构家能量和原子坐标, 模拟了构象能量优化过程, 得到了可能的最低能量构象. 并利用计算机分子图形技术建立了相应的人参抗脂解十四肽的三维分子模型. 模型的空间结构表明构象分析结果与二级预测的结论很好地相符。

Abstract: In this paper, the structure of the anti-lipolytic 14 peptides of Ginseng was studied. Based on the primary structure, the secondary structure was predicted to be mainly a helicity segment which linked a short coil region. We computed the relative conformational energy and the atomic coordinate of Ginseug polypeptide, simulated the optimizing process of conformational energy, obtained the possible energy-minimized conformation by means of molecular mechanics combined with the information from crystallographic database. We also built the corresponding three-dimension model of the Ginseng polypeptide. We also built the corresponding three-dimension model of the Ginseng polypeptide. The stereo structure of the model indicated that the result of the conformation analysis corresponded to the conclusion of the secondary structure prediction.
Ginseng is a renowned and precious medico-botanical which contains many ...