As an eco-friendly alternative to chemical insecticides, essential oils (EOs), have gained recognition for their pest-control properties. In this study, the toxicity, biochemical activity and molecular docking analysis of marjoram (), citronella (), and rosemary () EOs were investigated against 2nd instar larvae of cotton leafworm () Boisaduval. GC–MS analysis of the chemical composition of the tested EOs showed that , and EOs contained 12, 20, and 5 components, respectively. was composed largely of monoterpenoid molecules (47.12%), while both and were composed mainly of monoterpenes (84.39 and 92.16%, respectively). The toxicity tests revealed that EO had the highest insecticidal activity (LC = 2526.08 mg/L) against larvae. In addition, the tested EOs resulted in development disruption in , with EO showing the highest potency. significantly inhibited the activity of detoxifying enzymes, namely, Carboxylesterase (α- and β-esterase), Glutathione S-Transferase (GST) and Cytochrome P450 (P450s). Similarly, and inhibited the activity of superoxide dismutase (SOD). However, no significant difference in CAT activity was observed between the treated larvae and the control. As a result of docking analysis, the interaction of the main constituent of the tested EOs with GST occurred in the following order terpinen-4-ol> (Z)-citral> α-pinene correspondence to their energy score of −4.7386, −4.6491, and −4.5097 kcal/mol, respectively. The obtained results demonstrate the potential use of , and EOs in management programs.

中文翻译：

---

三种精油对斜纹夜蛾（鳞翅目：夜蛾科）的杀虫和生化影响的分子对接分析

作为化学杀虫剂的环保替代品，精油 (EO) 因其害虫防治特性而受到认可。本研究研究了马郁兰（）、香茅（）和迷迭香（）EOs对棉叶虫（）Boisaduval 2龄幼虫的毒性、生化活性和分子对接分析。对测试的 EO 的化学成分进行 GC-MS 分析表明， 、 和 EO 分别含有 12、20 和 5 种成分。主要由单萜分子组成（47.12％），而 和 均主要由单萜分子组成（分别为84.39％和92.16％）。毒性试验表明，EO对幼虫的杀虫活性最高（LC = 2526.08 mg/L）。此外，测试的 EO 导致 的发育中断，其中 EO 显示出最高的效力。显着抑制解毒酶的活性，即羧酸酯酶（α-和β-酯酶）、谷胱甘肽S-转移酶（GST）和细胞色素P450（P450s）。同样，并抑制超氧化物歧化酶（SOD）的活性。然而，在处理过的幼虫和对照幼虫之间没有观察到 CAT 活性的显着差异。对接分析结果显示，测试的 EO 主要成分与 GST 的相互作用按以下顺序发生：terpinen-4-ol> (Z)-citral> α-pinene，对应的能量得分为 -4.7386、-4.6491 ，和-4.5097 kcal/mol，分别。获得的结果证明了 、 和 EO 在管理计划中的潜在用途。