Terpenoid mosquito repellents: a combined DFT and QSAR study.


Interactions between low-toxicity terpenoid mosquito repellents and lactic acid are studied at the HF and B3LYP level. The subsequent QSAR study shows that not only the structure of repellents but also the repellent-lactic acid complexes may play an important role. It suggests that further study on interactions between repellents and characteristic compounds from human host may be required in order to understand the repelling mechanism.

DOI: 10.1016/j.bmcl.2013.01.015

Cite this paper

@article{Song2013TerpenoidMR, title={Terpenoid mosquito repellents: a combined DFT and QSAR study.}, author={Jie Song and Zongde Wang and Alexander D. Findlater and Zhaojiu Han and Zhikuan Jiang and Jinzhu Chen and Weiqing Zheng and Sarah Hyde}, journal={Bioorganic & medicinal chemistry letters}, year={2013}, volume={23 5}, pages={1245-8} }