中华按蚊AsBe3基因的克隆、生物信息学分析与分子对接  

Identification,Bioinformatic Analysis,and Molecular Docking of the AsBe3 Gene in Anopheles sinensis

作　　者：陈晓洁 韩宝珠 乔梁[1] 陈斌[1] CHEN Xiaojie;HAN Baozhu;QIAO Liang;CHEN Bin(Chongqing key Laboratory of Vector Insects,Institute of Entomology and Molecular Biology,College of Life Sciences,Chongqing Normal University,Chongqing 401331,China)

机构地区：[1]重庆师范大学生命科学学院昆虫与分子生物学研究所媒介昆虫重庆市重点实验室,重庆401331

出　　处：《重庆师范大学学报（自然科学版）》2020年第3期60-66,共7页Journal of Chongqing Normal University:Natural Science

基　　金：国家自然科学基金(No.31672363,No.31872262);国家科技基础性工作专项重点项目(No.2015FY210300);广西科技重大专项(No.桂科AA17129002);生态环境保护部“生物多样性保护重大工程”(No.8-2-3-8-2)。

摘　　要：【目的】克隆中华按蚊(Anopheles sinensis)羧酸酯酶基因AsBe3,并对该基因进行生物信息学和分子对接分析。【方法】克隆AsBe3基因编码序列,并在AsBe3蛋白的理化性质、系统发生关系、二级结构、多重序列比对、系统发育关系等方面对进行了预测和分析;通过同源建模和分子对接,分析AsBe3蛋白与氟氯氰菊酯形成稳定复合物的关键氨基酸残基。【结果】通过克隆得到了编码AsBe3基因的序列,大小为1302bp。在系统发育关系方面,AsBe3蛋白在8种不同物种中具有很高的保守性。AsBe3蛋白是疏水性蛋白,相对分子质量为48.45kDa,无信号肽和跨膜区。氟氯氰菊酯与AsBe3蛋白的结合自由能约为-42.3kJ·mol^-1,理论上AsBe3蛋白能够代谢氟氯氰菊酯。【结论】研究结果为后续对AsBe3基因进行生物学功能研究奠定了基础,为下一步开展AsBe3蛋白代谢研究提供了基础数据,也为阐释羧酸酯酶代谢抗性的分子机制提供了理论依据。[Purposes]The carboxylesterase gene of Anopheles sinensis,AsBe3,was cloned and analyzed by bioinformatics and molecular docking.[Methods]The coding sequence of AsBe3 was cloned and the gene was predicted and analyzed in terms of physical and chemical properties,phylogenetic relationship,secondary structure,multiple sequence alignment and phylogenetic relationship.Finally,the key amino acid residues interacting with deltamethrin were analyzed by homology modeling and molecular docking.[Findings]Molecular cloning obtained the AsBe3 encoding sequence with a size of 1302 bp.In phylogenetic relationship,AsBe3 protein is highly conserved in 8 different species.AsBe3 was a hydrophobic protein with a relative molecular mass of 48.45 kDa,without transmememal region and signal peptide.Homology modeling and molecular docking results show that cyfluthrin bind well to AsBe3 with a free energy of-42.3 kJ·mol^-1.Theoretically,AsBe3 protein can metabolize cyfluthrin.[Conclusions]The prediction and analysis results laid a foundation for the subsequent mining of biological functions of AsBe3.At the same time,through homology modeling and molecular docking,it provides basic data for the next research on AsBe3 protein metabolism and also provides a theoretical basis for explaining the molecular mechanism of carboxylesterase metabolism resistance.

关 键 词：中华按蚊 AsBe3基因 生物信息学 分子对接 

分 类 号：Q966[生物学—昆虫学]