互利素与白蛾周氏啮小蜂气味结合蛋白的分子对接  

Molecular docking of volatile synomone and the odorant binding proteins of Chouioia cunea Yang

作　　者：韩佳怡 郭美琪 王静 金欣 刘新宇 覃东玉 王永辉 潘丽娜[1,2,3] 李敏[1,2,3] HAN Jiayi;GUO Meiqi;WANG Jing;JIN Xin;LIU Xinyu;QIN Dongyu;WANG Yonghui;PAN Lina;LI Min(College of Life Sciences,Tianjin Normal University,Tianjin 300387,China;Tianjin Key Laboratory of Animal and Plant Resistance,Tianjin Normal University,Tianjin 300387,China;Tianjin Key Laboratory of Conservation and Utilization of Animal Diversity,Tianjin Normal University,Tianjin 300387,China;Natural Enemy Breeding Center,Luohe Central South Forestry Administration,Luohe 462300,Henan Province,China)

机构地区：[1]天津师范大学生命科学学院,天津300387 [2]天津师范大学天津市动植物抗性重点实验室,天津300387 [3]天津师范大学天津动物多样性保护与利用重点实验室,天津300387 [4]漯河市豫中南林业有害生物天敌繁育研究中心,河南漯河462300

出　　处：《天津师范大学学报（自然科学版）》2021年第3期34-39,74,共7页Journal of Tianjin Normal University：Natural Science Edition

基　　金：国家自然科学基金资助项目(3172058);天津市高等学校科技发展计划资助项目(2019KJ089).

摘　　要：为了揭示白蛾周氏啮小蜂的分子嗅觉机制,利用分子对接技术筛选出能够与美国白蛾取食后的泡桐叶片的互利素成分正十三烷、十四烷结合的气味结合蛋白OBPs(OBP19和OBP23),研究此类互利素进入白蛾周氏啮小蜂后的嗅觉通路.通过Swiss-Model对白蛾周氏啮小蜂气味结合蛋白CcOBP1~CcOBP25进行同源建模,获得蛋白的三维结构.从Pubchem下载十三烷和十四烷的三维结构,用Schrodinger Suites 2015-2中的mae-stro 10.2进行分子对接.结果发现,OBP19和OBP23均能与这2种化合物结合,十三烷与OBP19结合效果最好,系数为-0.595403,十四烷与OBP23结合效果最好,系数为-0.749012.根据这些结果推测,白蛾周氏啮小蜂的嗅觉识别机制在OBP对化合物的识别层面上具有网络交叉特性.In order to reveal the molecular olfactory mechanism of Chouioia cunea Yang,odorant blinding proteins OBPs(OBP19 and OBP23)which can bind with two kinds of synomones,i.e.n-tridecane and tetradecane of Paulownia leaves fed by Hyphantria Cunea were screened by molecular docking technique,and the olfactory pathway of this kind of synomones in C.cunea was studied.The best suitable 3D model from CcOBP1 to CcOBP25 was obtained by Swiss-Model.The 3D structure of n-tridecane and tetradecane were downloaded from Pubchem.Molecular docking was performed using maestro 10.2 from Schrodinger Suites 2015-2.The results showed that both OBP19 and OBP23 can bind with n-tridecane and tetradecane.The combination effect of tridecane and OBP19 was the best with the binding coefficient of-0.595403,and the combination effect of tetradecane and OBP23 was the best with the binding coefficient of-0.749012.According to these results,it is speculated that the olfactory recognition mechanism of C.cunea has the characteristics of network crossing on the level of OBP recognition of compounds.

关 键 词：白蛾周氏啮小蜂 互利素 分子对接 气味结合蛋白 

分 类 号：Q966[生物学—昆虫学]