南瓜实蝇气味结合蛋白和4种小分子配体的分子对接  

Molecular Docking of Odorant Binding Proteins of Bactrocera tau with Four Ligands

作　　者：汪斌伟 柯莎 李珣[1] 袁盛勇[1] 孔琼[1] 王传铭[1] 张晓媛 李秀芳 杨华芳 WANG Bin-wei;KE Sha;Li Xun;YUAN Sheng-yong;KONG Qiong;WANG Chuan-ming;ZHANG Xiao-yuan;LI Xiu-fang;YANG Hua-fang(Honghe University/Key Laboratory for Research and Utilization of Characteristic Biological Resources in Southern Yunnan,Mengzi 661199,China)

机构地区：[1]红河学院/云南省高校滇南特色生物资源研究与利用重点实验室,云南蒙自661199

出　　处：《红河学院学报》2021年第2期142-145,148,共5页Journal of Honghe University

基　　金：云南省应用基础研究计划面上资助项目(2016FB069);红河学院大学生创新创业训练计划项目(DCXL181067);红河学院生物学重点建设学科资助。

摘　　要：为研究南瓜实蝇的植物源干扰剂提供数据和筛选出与南瓜实蝇OBPs可能结合的小分子配体,本文采用南瓜实蝇OBP2、OBP8、OBP9的氨基酸序列和十七烷、十八烯、D-香茅醇、D-柠檬烯4种小分子物质为材料,进行了同源建模和分子对接。结果表明,D-香茅醇与OBP2、OBP8、OBP9对接效果最好;十七烷与OBP8、OBP9对接效果较好;D-柠檬烯仅与OBP2有较好对接效果;而十八烯与3个南瓜实蝇OBP对接效果均较差。因此D-香茅醇、十七烷和D-柠檬烯可作为南瓜实蝇田间防治的昆虫行为干扰剂备选材料。In order to provide some data for control on Bactrocera tau and screen some ligands better combined with OBPs of Bactrocera tau,amino acid sequence of OBP2,OBP8,OBP9 in Bactrocera tau and four ligands(heptadecane,octadecene,D-citronellol,D-limonene)as materials were researched by homologous modeling and molecular docking.The results showed that D-citronellol had the best docking effect with OBP2,OBP8 and OBP9,heptadecane had good docking effect with OBP8 and OBP9,D-limonene had best docking effect with OBP2,and octadecene had poor docking effect with OBP2,OBP8 and OBP9.Therefore,D-citronellol,heptadecane and D-limonene may be used as candidate materials of attractants or repellents for control on Bactrocera tau in field.

关 键 词：南瓜实蝇 气味结合蛋白 分子对接 小分子配体 

分 类 号：S435[农业科学—农业昆虫与害虫防治]