Chitinase has been identified as an important target for insecticides. In this study, a series of novel chitinase inhibitors was designed and synthesized with nitrobenzoxadiazoles. Compound , which contains the -methylcarbamoylguanidinyl, exhibited high enzyme inhibitory activity and achieved nanomolar inhibition against ChtI (IC = 12.3 nM). Delightfully, it was also found to possess significant inhibitory activity against Hex1 (IC = 1.76 μM). The computational simulation results indicated that compound interacted with ChtI and Hex1 in similar modes through hydrogen bonds and hydrophobic and π-π interactions. Insecticidal activity studies revealed that compound showed high mortality against the Lepidoptera (mortality rate = 81%) at 200 mg/L. Toxicity studies indicated that compound exhibited negligible toxicity to the natural enemy . These results indicate that compound may be a promising candidate for the development of environmentally friendly chitinase inhibitors. Moreover, this study provides a new angle for the design of innovative inhibitors of chitinolytic enzymes.
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