| The use of pesticides is an important means to control crop diseases and pests.After years of development,many pesticides have gradually decreased their efficacy or lose their efficacy due to the emergence of pest resistance.Therefore,the development of new pesticides and new targets is very important.The sensitive olfactory system of insects plays an important role in host location,courtship,predator predation,and oviposition site selection.In the process of insect olfactory perception,odorant binding proteins(OBPs),chemosensory proteins(CSPs),odorant receptors(ORS),ionic receptors(IRS),sensory neuron membrane proteins(SNMPs)and other olfactory proteins participate in the transport of odor molecules.Therefore,the research on odor related genes can promote us to find and design new ideas for pest control(for example,the development of new pesticides).In this study,the data of related genes and proteins on odor channels were collected and analyzed,and on this basis,the odor related gene database was constructed.At the same time,Sfur OBP11 protein was virtual screening to verify the possibility of becoming a target.The specific results are as follows:1.The relevant genes on the odor channel of all species were collected and analyzed,and the odor related gene database was constructed.Firstly,we use relevant text mining technology to obtain odor related gene data from relevant gene and protein databases(NCBI,uniport,ENA,etc.)and literature.After processing,a total of 4527 OBPs genes and related sequence information in 340 species,998 CSPs genes and related sequence information in 121 species,12455 ORs genes and related sequence information in 301 species,4675 IRs genes and related sequence information in 235 species,429 SNMPs genes and related sequence information in132 species were obtained.Then,we made a simple statistical and evolutionary analysis of these data,and studied the kinship of these species.Based on the results of these analyses and the collected data,the Odorgene database is constructed.2.We used the consistent molecular docking program AUTO＿CDVS that integrated five docking software(Autodock、Vina、Gold、Plants、Le Dock)to carried out virtual screening study on Sfur OBP11 protein.Firstly,we used the multi template modeling method of the version of modeller9.14 to carry out homologous modeling,and combines the tools of Fpocket1.0 and pocasa predicted its active sites.Then,Vina preliminary screening,four software(Autodock,Vina,Gold,Plants)consistent molecular docking,molecular dynamics simulation and MM/PBSA were carried out in turn.Finally,17 compounds with the most potential were selected from 740,000 small molecule databases for biological activity test.The results of activity test showed that at the concentration of 150 ppm,compound T1472,compound4823-0572,compound k404-0777,compound k404-0684,compound 8018-9021,compound 7771-0759,compound K074-4061 and compound Y041-1371 had the effect of attracting white backed planthopper at the concentration of 150 ppm.The attracting effects reached 77.78%(SD:0.36),72.22%(SD:0.45),66.67%(SD:0.26)and 70.00%(SD:0.33)respectively,70.00%(SD:0.36),68.75%(SD:0.46),68.42%(SD:0.32),70.59%(SD:0.38).In the control group,the drug was significantly higher than that in Rice(the proportion of compound T1472 and compound4823-0572 was 69.69%(SD:0.56)and 63.15%(SD:0.24).In addition,compound6197-5041 and compound C679-1939 had a taxing effect on Planthoppers of 66.67%(SD:0.30)and 62.50%(SD:0.28)at 150 ppm.. |
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