Pest management in stored grain industry is a global issue due to the development of insecticide resistance in stored grain insect pests. Excessive use of insecticides at higher doses poses a serious threat of food contamination and residual toxicity for grain consumers. Since the development of new pesticide incurs heavy costs, identifying an effective synergist can provide a ready and economical tool for controlling resistant pest populations. Therefore, the synergistic property of quercetin with paraoxon and tetraethyl pyrophosphate has been evaluated against the larvae and adults of Tribolium castaneum (Herbst). Comparative molecular docking analyses were carried out to further identify the possible mechanism of synergism. It was observed that quercetin has no insecticidal when applied at the rate of 1.5 and 3.0 mg/g; however, a considerable synergism was observed when applied in combination with paraoxon. The comparative molecular docking analyses of CYP450 monooxygenase (CYP15A1, CYP6BR1, CYP6BK2, CYP6BK3) family were performed with quercetin, paraoxon and tetraethyl pyrophosphate which revealed considerable molecular interactions, predicting the inhibition of CYP450 isoenzyme by all three ligands. The study concludes that quercetin may be an effective synergist for organophosphate pesticides depending upon the dose and type of the compound. In addition, in silico analyses of the structurally diversified organophosphates can effectively differentiate the organophosphates which are synergistic with quercetin.

中文翻译：

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赤拟谷盗 (Herbst) 的 CYP450 单加氧酶的分子对接分析揭示了槲皮素与对氧磷和焦磷酸四乙酯的协同作用：体内和计算机研究。

由于储粮害虫对杀虫剂产生抗药性，储粮行业的害虫管理是一个全球性问题。过量使用高剂量杀虫剂对粮食消费者造成食品污染和残留毒性的严重威胁。由于新农药的开发成本高昂，因此确定有效的增效剂可以为控制抗性害虫种群提供现成且经济的工具。因此，我们针对赤拟谷盗(Herbst)的幼虫和成虫评估了槲皮素与对氧磷和焦磷酸四乙酯的协同作用。进行了比较分子对接分析，以进一步确定可能的协同作用机制。结果表明，槲皮素在1.5、3.0mg/g浓度下无杀虫作用；然而，当与对氧磷联合应用时，观察到相当大的协同作用。使用槲皮素、对氧磷和焦磷酸四乙酯对 CYP450 单加氧酶（CYP15A1、CYP6BR1、CYP6BK2、CYP6BK3）家族进行比较分子对接分析，揭示了相当大的分子相互作用，预测所有三种配体对 CYP450 同工酶的抑制作用。该研究得出的结论是，槲皮素可能是有机磷农药的有效增效剂，具体取决于化合物的剂量和类型。此外，对结构多样化的有机磷酸酯进行计算机分析可以有效地区分与槲皮素具有协同作用的有机磷酸酯。