Bioactive molecules of Triadica sebifera as eco-friendly antifeedants against Plutella xylostella: a pest management approach†

IF 3.2 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Molecular Systems Design & Engineering Pub Date : 2023-06-15 DOI:10.1039/D3ME00036B
Rahul Singh, Vijay Kumar Bhardwaj, Shudh Kirti Dolma, Sandeep Kumar, S. G. Eswara Reddy and Rituraj Purohit
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Abstract

Odorant-binding proteins (OBPs) and odorant receptors (ORs) have emerged as alternative targets for the development of environment-friendly molecules for pest management. The OBPs are the main proteins present in the antennal sensillum lymph of insects to perceive and interact with behaviorally active molecules in the long process of olfactory signal transduction. The disruption of olfaction by means of bioactive molecules could serve as an environment-friendly approach to alter the behavioral outcomes of insects for effective pest management. In this study, we have used in silico and experimental analysis to screen out behaviorally active molecules against Plutella xylostella. The selected molecules were subjected to docking, MD, and SMD simulations to analyze the binding affinity, stability, and conformational changes in the OBP1 and OR1 proteins. On the basis of in silico analysis, two behaviorally active molecules (ethyl gallate and methyl gallate) are selected to further check their antifeedant activity experimentally. Both molecules showed promising antifeedant/deterrent activity against the larvae of Plutella xylostella in experimental analysis at different concentrations, hence having the potential to be developed as novel antifeedants to protect crops grown under greenhouse and field conditions.

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牛头草抗小菜蛾的生物活性分子研究
气味结合蛋白(OBPs)和气味受体(ORs)已成为开发环境友好型害虫治理分子的替代目标。obp是昆虫触角感受器淋巴中存在的主要蛋白,在漫长的嗅觉信号转导过程中感知并与行为活性分子相互作用。利用生物活性分子破坏昆虫的嗅觉可以作为一种环境友好的方法来改变昆虫的行为结果,从而有效地防治害虫。在本研究中,我们利用硅和实验分析筛选出了对小菜蛾具有行为活性的分子。选择的分子进行对接、MD和SMD模拟,分析OBP1和OR1蛋白的结合亲和力、稳定性和构象变化。在硅分析的基础上,选择了两种行为活性分子(没食子酸乙酯和没食子酸甲酯),进一步实验验证了它们的拒食活性。实验分析表明,两种分子在不同浓度下对小菜蛾幼虫均表现出良好的拒食/阻食活性,因此具有开发新型拒食剂的潜力,可以保护温室和大田条件下生长的作物。
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来源期刊
Molecular Systems Design & Engineering
Molecular Systems Design & Engineering Engineering-Biomedical Engineering
CiteScore
6.40
自引率
2.80%
发文量
144
期刊介绍: Molecular Systems Design & Engineering provides a hub for cutting-edge research into how understanding of molecular properties, behaviour and interactions can be used to design and assemble better materials, systems, and processes to achieve specific functions. These may have applications of technological significance and help address global challenges.
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