Molecular interactions between terpenoid mosquito repellents and human-secreted attractants
Autor(es): Liao, Shengliang; Song, Jie; Wang, Zongde; Chen, Jinzhu; Fan, Guorong; Song, Zhanqian; Shang, Shibin; Chen, Shangxing; Wang, Peng
Resumo: Molecular interactions between terpenoid mosquito repellents and three typical human-secreted attractants, ammonia, 1-octen-3-ol, and formic acid were studied. Relative energies, bond distances, and bond angles of the molecular interactions were obtained at HF level to evaluate the interaction intensity and types. The effects of molecular interactions on repellency were investigated by the subsequent quantitative structure-activity relationship (QSAR) study. The results of this study suggest that attractant-repellent interaction should not be ignored and could be helpful for future research on the repelling mechanism of mosquito repellents. (C) 2014 Elsevier Ltd. All rights reserved.
Palavras-Chave: Terpenoid; Mosquito repellent; Human-secreted attractant; Molecular interaction; Repellency
Imprenta: Bioorganic & Medicinal Chemistry Letters, v. 24, n. 3, p. 773-779, 2014
Identificador do objeto digital: 10.1016/j.bmcl.2013.12.102
Descritores: Aedes aegypti - Proteins ; Aedes aegypti - Repellent
Data de publicação: 2014
