| China is a large country of use pesticides,while the pesticide residues of food also caused widespread concern.Since the widely publicizing by national environmental protection departments and relevant government sections,people's awareness of environmental protection and harmless pesticide has been strengthened.The selection and use of pesticides has also undergone great changes,many factors have contributed to development of green pesticide with environmental friendship and low toxicity.The pyrethroid insecticides belong to the class Voltage-gated sodium channel inhibitor(SCI),by selectively blocking the sodium ion channel to keep it in a nonconducting state,resulting insects loss of activity and death by persistent paralysis.In order to develop a new type of highly efficient SCI insecticides and to understand their action mechanisms,the software SYBYLX-1.2 was used in this study.The housefly in an open state sodium channel was homology modeled by using S4-S5 fragment in DII section of rat-brain and S6 section of Aeropyrumpernix in voltage-gated potassium channel as structure templates.The model was confirmed by Ramachandran graph and molecular dynamics according to the molecular potential energy and the location of the amino acid.In addition,the 35 pyrethroids were docked with the model of Musca domestica sodium ion channel receptor,to explore the interaction mechanism of the insecticide pyrethroid compounds with insect sodium channel receptor.Furthmore,A series of pyrethroid compounds were also studied by 3D-QSAR,and the effect of functional groups on the series of pyrethroid compounds were evaluated.The results of this study provided a theoretical basis for the research and development of low toxicity and high efficiency sodium ion channel receptor insecticides. |
PDF Full Text Request