白蛾周氏啮小蜂气味结合蛋白OBP1与寄主挥发物的分子对接研究
作者:
作者单位:

作者简介:

通讯作者:

基金项目:

天津市自然科学基金青年基金资助项目(17JCQNJC14900);国家自然科学基金(31702058)


Molecular docking of odorant binding protein1 of Chouioia cunea with host volatiles
Author:
Affiliation:

Fund Project:

  • 摘要
  • |
  • 图/表
  • |
  • 访问统计
  • |
  • 参考文献
  • |
  • 相似文献
  • |
  • 引证文献
  • |
  • 资源附件
    摘要:

    [目的]白蛾周氏啮小蜂为重大入侵害虫美国白蛾的主要天敌。本课题组前期通过转录组测序技术筛选出8个主要在白蛾周氏啮小蜂雌性触角中表达的气味结合蛋白OBPs。然而目前,对这些OBPs的具体结构和功能仍不清楚。因此,选取一个在雌性周氏啮小蜂触角特异表达的气味结合蛋白OBP1,通过分子对接技术模拟寄主挥发物与OBP1的结合情况。[方法]通过Swiss-Model对白蛾周氏啮小蜂气味结合蛋白CcOBP1进行同源建模,获得该蛋白的三维结构。从Pubchem下载γ-丁内酯、邻苯二甲酸二甲酯和萘等11种小分子的三维结构。用Schrodinger Suites 2015-2中的maestro10.2软件进行分子对接。[结果]在11种挥发物中,有3种与CcOBP1结合特性较好的小分子物质,分别是γ-丁内酯、邻苯二甲酸二甲酯和萘。[结论]白蛾周氏啮小蜂气味结合蛋白CcOBP1与γ-丁内酯、邻苯二甲酸二甲酯和萘结合特性较好,CcOBP1的功能可能与白蛾周氏啮小蜂的趋避效应相关,该结果初步探明了白蛾周氏啮小蜂OBP1的功能,可为白蛾周氏啮小蜂嗅觉分子机制的研究积累数据。

    Abstract:

    [Aim] Chouioia cunea is the main natural enemy of the invasive pest Hyphantria cunea. Molecular expression analyses of different tissues and both sexes of this pest show that eight OBPs are exclusively or primarily expressed in female antennae. However, the specific structure and function of these OBPs are still unknown. In this study, CcOBP1, which mainly expressed in the antenna of female C. cunea, was selected to study its functions by molecular docking technique.[Method] The best suitable 3D model of the CcOBP1 was obtained by Swiss-Model. The 3D structure of 11 ligands such as γ-butyrolactone, dimethyl phthalate and naphthalene were downloaded from Pubchem. Molecular docking was done using maestro 10.2 software from Schrodinger suite 2015-2.[Result] Among the 11 kinds of volatiles of H. cunea, three small molecules could bind to OBP1:γ-butyrolactone, dimethyl phthalate, and naphthalene.[Conclusion] The Odorant binding proteins CcOBP1 has a good binding affinity with γ-butyrolactone, dimethyl phthalate and naphthalene, and the function of CcOBP1 may be related to the repellent effect of C. cunea. These results may contribute to the understanding the olfactory molecular mechanisms of C. cunea.

    参考文献
    相似文献
    引证文献
引用本文

相伟芳,李敏,林艳平,王静,张新玥,郭美琪,杨艺新,朱耿平,潘丽娜.白蛾周氏啮小蜂气味结合蛋白OBP1与寄主挥发物的分子对接研究[J].生物安全学报中文版,2018,27(3):193-199

复制
分享
文章指标
  • 点击次数:
  • 下载次数:
历史
  • 收稿日期:2018-04-20
  • 最后修改日期:2018-06-24
  • 录用日期:
  • 在线发布日期: 2018-09-11
×
《生物安全学报》
近日,有作者反映收到假冒编辑邮件,请作者仔细甄别。