| 李 敏, 郭美琪, 相伟芳, 杨艺新, 王永辉, 朱耿平, 潘丽娜*.分子对接技术在昆虫化学感受研究中的应用进展[J].植物保护,2019,45(5):121-127. |
| 分子对接技术在昆虫化学感受研究中的应用进展 |
| Research progress in molecular docking in insect chemosense |
| 投稿时间：2018-11-02 修订日期：2019-01-06 |
| DOI：DOI: 10.16688/j.zwbh.2018464 |
| 中文关键词: 分子对接 昆虫 化学感受基因 化学信息素 配体复合物 |
| 英文关键词:molecular docking insect chemosensory gene chemical pheromone ligand complexes |
| 基金项目:国家自然科学基金(31702058); 天津市自然科学基金青年基金(17JCQNJC14900); 天津市自然科学基金(18JCYBJC96300) |
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| 中文摘要: |
| 分子对接是利用生物信息分析手段预测配体和受体的结构模型, 模拟出配体复合物的结构并通过结合自由能来判断结合强度的一种技术。分子对接包括蛋白质和小分子的前期准备, 识别结合位点, 搜索配体化合物的构象, 评估对接结果四部分。昆虫的化学感受途径主要通过化感蛋白与小分子化合物的结合, 实现对化学信息素的接收。分子对接可以精确模拟昆虫化感蛋白和信息化合物的结构以及二者的结合形式, 可作为研究昆虫化学感受途径的有效技术手段, 从而有利于研究开发昆虫抑制剂, 用于农林病虫害的防治。本文综述了分子对接技术在昆虫化学感受研究中的应用进展, 并详细介绍了分子对接的相关软件, 举例说明了分子对接的过程, 可为该领域的相关研究提供理论支持和方法指导。 |
| 英文摘要: |
| Molecular docking is a technique for predicting the structural models of the ligands and receptors, simulating the structures of ligand complexes, and determining the strength of binding via combining free energies by means of bioinformatic analysis. Molecular docking involves the preparation of proteins and small molecules, the recognition of binding sites, the search for the conformation of ligand compounds, and the evaluation of the docking results. The reception of chemical pheromones by insects is mainly achieved by the combination of chemosensory proteins and small molecule compounds. Molecular docking accurately simulates the structures and the combined forms of insect chemosensory proteins and information compounds, which can be applied efficiently to the study of insect chemosensory pathways. This review summarized the research progresses in molecular docking technique in the field of insect chemosensory reception, introduced the related softwares of molecular docking, and illustrated the process of molecular docking, which provides solid theoretical supports and logical methodological guidance for the related research in this field. |
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