Fatimah Nusrat, Ashraf Suhail, Nayana R U Krishna, Anju P B, Showkat Mansoor, Perveen Kahkashan, Bukhari Najat A, Sayyed R Z, Mastinu Andrea
Division of Entomology, Faculty of Agriculture, Sher-e-Kashmir University of Agricultural Sciences and Technology, Kashmir, 190006, India.
Department of Plant Biotechnology, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore, 641003, India.
Heliyon. 2024 Jun 13;10(12):e32580. doi: 10.1016/j.heliyon.2024.e32580. eCollection 2024 Jun 30.
Organophosphates constitute a major class of pesticides widely employed in agriculture to manage insect pests. Their toxicity is attributed to their ability to inhibit the functioning of acetylcholinesterase (AChE), an essential enzyme for normal nerve transmission. Organophosphates, especially chlorpyrifos, have been a key component of the integrated pest management (IPM) in onions, effectively controlling onion maggot , a severe pest of onions. However, the growing concerns over the use of this insecticide on human health and the environment compelled the need for an alternative organophosphate and a potential microbial agent for bioremediation to mitigate organophosphate pesticide pollution. In the present study, chloropyrifos along with five other organophosphate insecticides, phosmet, primiphos-methyl, isofenphos, iodofenphos and tribuphos, were screened against the target protein AChE of using molecular modeling and docking techniques. The results revealed that iodofenphos showed the best interaction, while tribuphos had the lowest interaction with the AChE based on comparative binding energy values. Further, protein-protein interaction analysis conducted using the STRING database and Cytoscap software revealed that AChE is linked with a network of 10 different proteins, suggesting that the function of AChE is disrupted through interaction with insecticides, potentially leading to disruption within the network of associated proteins. Additionally, an study was conducted to predict the binding efficiency of two organophosphate degrading enzymes, organophosphohydrolase (OpdA) from and paraoxonase 1 like (ThPON1-like) protein from , with the selected insecticides. The analysis revealed their potential to degrade the pesticides, offering a promising alternative before going for cumbersome onsite remediation.
有机磷酸酯是一类主要的农药,广泛应用于农业领域以防治害虫。它们的毒性归因于其抑制乙酰胆碱酯酶(AChE)功能的能力,AChE是正常神经传递所必需的酶。有机磷酸酯,尤其是毒死蜱,一直是洋葱综合虫害管理(IPM)的关键组成部分,能有效控制洋葱蛆,这是洋葱的一种严重害虫。然而,人们对这种杀虫剂对人类健康和环境的担忧与日俱增,因此需要一种替代有机磷酸酯以及一种潜在的用于生物修复的微生物制剂,以减轻有机磷酸酯农药污染。在本研究中,使用分子建模和对接技术,针对 的靶蛋白AChE,对毒死蜱以及其他五种有机磷酸酯杀虫剂,即亚胺硫磷、甲基嘧啶磷、异柳磷、碘硫磷和益棉磷进行了筛选。结果显示,基于比较结合能值,碘硫磷与AChE的相互作用最佳,而益棉磷与AChE的相互作用最低。此外,使用STRING数据库和Cytoscap软件进行的蛋白质-蛋白质相互作用分析表明,AChE与10种不同蛋白质的网络相连,这表明AChE的功能通过与杀虫剂的相互作用而受到干扰,可能导致相关蛋白质网络内的紊乱。此外,还进行了一项 研究,以预测来自 的有机磷酸酯水解酶(OpdA)和来自 的对氧磷酶1样(ThPON1样)蛋白这两种有机磷酸酯降解酶与所选杀虫剂的结合效率。分析揭示了它们降解农药的潜力,在进行繁琐的现场修复之前提供了一个有前景的替代方案。