In the United States, allyl isothiocyanate (AITC) has been registered as an insecticide, bactericide, and nematicide. And it has been confirmed that AITC has significant insecticidal activities against four stored product pests including Sitophilus zeamais Mostchulky (Coleoptera: Curculionidae). This study aimed to verify the mechanism of action of AITC on cytochrome c oxidase core subunits II in S. zeamais. Enzyme - catalyzed reactions and Fourier transform infrared spectrometer (FTIR) analysis revealed that the expressed COX II proteins could competitively bind and inhibit the activity of COX II. Furthermore, molecular docking results showed that a sulfur atom of AITC could form a 2.9 Å hydrogen bond with Ile-30, having a binding energy of −2.46 kcal/mol.

在美国，异硫氰酸烯丙酯（AITC）已注册为杀虫剂、杀菌剂和杀线虫剂。并已证实AITC对玉米螟（Coleoptera：Curculionidae）等4种贮藏物害虫具有显着的杀虫活性。本研究旨在验证AITC对玉米葡萄球菌细胞色素c氧化酶核心亚基II的作用机制。酶催化反应和傅里叶变换红外光谱仪（FTIR）分析表明，表达的COX II蛋白可以竞争性结合并抑制COX II的活性。此外，分子对接结果表明，AITC的一个硫原子可以与Ile-30形成2.9 Å的氢键，结合能为-2.46 kcal/mol。