Year: 2024
Type: article
Abstract: Agonists of insect hormones, namely molting hormone (MH) and juvenile hormone (JH), disrupt the normal growth of insects and can be employed as insecticides that are harmless to vertebrates. In this study, a series of experiments and computational analyses were conducted to rationally design novel insect hormone agonists. Syntheses and quantitative structure-activity relationship (QSAR) analyses of two MH agonist chemotypes, imidazothiadiazoles and tetrahydroquinolines, revealed that the structural factors important for the ligand-receptor interactions are significantly different between these chemotypes. On the other hand, a virtual screening cascade combining ligand- and structure-based methods identified a piperazine derivative as a novel JH agonist. The results obtained in this study will be useful for the future development of novel insect growth regulators.
Source: Journal of Pesticide Science
Author: Taiyo Yokoi
Institution: Sagami Chemical Research Institute
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4405014791