白蛾周氏啮小蜂气味结合蛋白OBP1与寄主挥发物的分子对接研究
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摘要
【目的】白蛾周氏啮小蜂为重大入侵害虫美国白蛾的主要天敌。本课题组前期通过转录组测序技术筛选出8个主要在白蛾周氏啮小蜂雌性触角中表达的气味结合蛋白OBPs。然而目前,对这些OBPs的具体结构和功能仍不清楚。因此,选取一个在雌性周氏啮小蜂触角特异表达的气味结合蛋白OBP1,通过分子对接技术模拟寄主挥发物与OBP1的结合情况。【方法】通过Swiss-Model对白蛾周氏啮小蜂气味结合蛋白CcOBP1进行同源建模,获得该蛋白的三维结构。从Pubchem下载γ-丁内酯、邻苯二甲酸二甲酯和萘等11种小分子的三维结构。用Schrodinger Suites 2015-2中的maestro10.2软件进行分子对接。【结果】在11种挥发物中,有3种与CcOBP1结合特性较好的小分子物质,分别是γ-丁内酯、邻苯二甲酸二甲酯和萘。【结论】白蛾周氏啮小蜂气味结合蛋白CcOBP1与γ-丁内酯、邻苯二甲酸二甲酯和萘结合特性较好,CcOBP1的功能可能与白蛾周氏啮小蜂的趋避效应相关,该结果初步探明了白蛾周氏啮小蜂OBP1的功能,可为白蛾周氏啮小蜂嗅觉分子机制的研究积累数据。
【Aim】Chouioia cunea is the main natural enemy of the invasive pest Hyphantria cunea. Molecular expression analyses of different tissues and both sexes of this pest show that eight OBPs are exclusively or primarily expressed in female antennae. However,the specific structure and function of these OBPs are still unknown. In this study,CcOBP1,which mainly expressed in the antenna of female C. cunea,was selected to study its functions by molecular docking technique. 【Method】The best suitable 3D model of the CcOBP1 was obtained by Swiss-Model. The 3D structure of 11 ligands such as γ-butyrolactone,dimethyl phthalate and naphthalene were downloaded from Pubchem. Molecular docking was done using maestro 10.2 software from Schrodinger suite 2015-2. 【Result】Among the 11 kinds of volatiles of H. cunea,three small molecules could bind to OBP1: γ-butyrolactone,dimethyl phthalate,and naphthalene. 【Conclusion】The Odorant binding proteins CcOBP1 has a good binding affinity with γ-butyrolactone,dimethyl phthalate and naphthalene,and the function of CcOBP1 may be related to the repellent effect of C. cunea. These results may contribute to the understanding the olfactory molecular mechanisms of C. cunea.
【Aim】Chouioia cunea is the main natural enemy of the invasive pest Hyphantria cunea. Molecular expression analyses of different tissues and both sexes of this pest show that eight OBPs are exclusively or primarily expressed in female antennae. However,the specific structure and function of these OBPs are still unknown. In this study,CcOBP1,which mainly expressed in the antenna of female C. cunea,was selected to study its functions by molecular docking technique. 【Method】The best suitable 3D model of the CcOBP1 was obtained by Swiss-Model. The 3D structure of 11 ligands such as γ-butyrolactone,dimethyl phthalate and naphthalene were downloaded from Pubchem. Molecular docking was done using maestro 10.2 software from Schrodinger suite 2015-2. 【Result】Among the 11 kinds of volatiles of H. cunea,three small molecules could bind to OBP1: γ-butyrolactone,dimethyl phthalate,and naphthalene. 【Conclusion】The Odorant binding proteins CcOBP1 has a good binding affinity with γ-butyrolactone,dimethyl phthalate and naphthalene,and the function of CcOBP1 may be related to the repellent effect of C. cunea. These results may contribute to the understanding the olfactory molecular mechanisms of C. cunea.
引文
丁嘉文,陈易彤,谢晓,朱庚平,刘向明,刘强,2015.四种不同方法提取沙枣花挥发物的成分分析.植物科学学报,33(1):116-125.
巩中军,原国辉,郭线茹,安世恒,2005.烟实夜蛾触角普通气味结合蛋白Ⅱc DNA的克隆、序列分析及在大肠杆菌中的表达.昆虫学报,48(1):18-23.
黄顶成,张润志,2011.中国外来入侵种的类群、原产地及变化趋势.生物安全学报,20(2):113-118.
季荣,谢宝瑜,李欣海,高增祥,李典谟,2003.外来入侵种---美国白蛾的研究进展.应用昆虫学报,40(1):13-18.
王凤竹,张新玥,范伟健,赵燕妮,朱庚平,李敏,2017.周氏啮小蜂气味结合蛋白I基因的进化分析.天津师范大学学报(自然科学版),37(1):46-50.
许先进,王存新,1989.分子对接方法在药物发现之外领域的应用.北京工业大学学报,43(12):1872-1880.
杨忠岐,1989.中国寄生于美国白蛾的啮小蜂-新属-新种(膜翅目,姬小蜂科,啮小蜂亚科).昆虫分类学报,(Z1):117-130.
杨忠岐,王小艺,王传珍,乔秀荣,庞建军,2005.白蛾周氏啮小蜂可持续控制美国白蛾的研究.林业科学,41(5):72-80.
杨忠岐,张永安,2007.重大外来入侵害虫---美国白蛾生物防治技术研究.应用昆虫学报,44(4):465-471.
张向欣,王正军,2009.外来入侵种美国白蛾的研究进展.安徽农业科学,37(1):215-219.
张新玥,王凤竹,范伟健,潘丽娜,朱庚平,林艳平,王静,李敏,2018.白蛾周氏啮小蜂普通气味受体OR1的进化分析.天津师范大学学报(自然科学版),38(2):29-34.
张婷,刘乃勇,董双林,2012.甜菜夜蛾触角结合蛋白Ⅱ的c DNA克隆、组织分布及配体结合特性分析.昆虫学报,55(5):499-509.
郑雅楠,祁金玉,孙守慧,杨长成,2012.白蛾周氏啮小蜂Chouioia cunea Yang的研究和生物防治应用进展.中国生物防治学报,28(2):275-281.
AIHETASHAM A,AKHTAR M S,UMER M,RASIB K Z,DIN M I,2017.Bioactivity of extracts of foeniculum vulgare and ocimum basilicum against Heterotermes indicola(Wasmann).Pakistan Journal of Zoology,49(6):2193-2199.
CUI H H,GU S H,ZHU X Q,WEI Y,LIU H W,KHALIDH D,GUO Y Y,ZHANG Y J,2016.Odorant-binding and chemosensory proteins identified in the antennal transcriptome of Adelphocoris suturalis Jakovlev.Comparative Biochemistry&Physiology Part D Genomics&Proteomics,24:139-145.
GEORGE P D C,CHAKRABORTY C,NARAYAN V,THI-RUMAL K D,2014.Computational approaches and resources in single amino acid substitutions analysis toward clinical research.Advances in Protein Chemistry&Structural Biology,94:365-423.
HE X L,TZOTZOS G,WOODCOCK C,PICKETT J A,HOOPER T,FIELD L M,ZHOU J J,2010.Binding of the general odorant binding protein of Bombyx mori BmorGOBP2 to the moth sex pheromone components.Journal of Chemical Ecology,36(12):1293.
KARUNAMOORTHI K,SABESAN S,2010.Laboratory evaluation of dimethyl phthalate treated wristbands against three predominant mosquito(Diptera:Culicidae)vectors of disease.European Review for Medical and Pharmacological Sciences,14(5):443-448.
LEAL W S,2013.Odorant reception in insects:roles of receptors,binding proteins,and degrading enzymes.Annual Review of Entomology,58(1):373-391.
LI H L,ZHAO L,FU X B,SONG X M,WU F,TANG M Z,CUIH C,YU J Z,2017.Physicochemical evidences on the sublethal neonicotinoid imidacloprid interacting with an odorant-binding protein from the tea geometrid moth,Ectropis obliqua.Journal of Agricultural&Food Chemistry,65(16):3276.
MOON J K,SHIBAMOTO T,2009.Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans.Journal of Agricultural and Food Chemistry,57(13):5823-5831.
PAJAROCASTRO N,CABALLEROGALLARDO K,OLIV-EROVERBEL J,2017.Toxicity of naphthalene and benzene on Tribollium castaneum Herbst.International Journal of Environmental Research and Public Health,14(6):667-677.
PELOSI P,IOVINELLA I,ZHU J,WANG G R,2017.Beyond chemoreception:diverse tasks of soluble olfactory proteins in insects.Biological Reviews of the Cambridge Philosophical Society,93(1):184-200.
RAMACHANDRAN G N,RAMAKRISHNAN C,SASISEKHA-RAN V,1963.Stereochemistry of polypeptide chain configurations.Journal of Molecular Biology,7(1):95-99.
SELLI S,CANBAS A,VARLET V,KELEBEK H,PROST C,SEROT T,2008.Characterization of the most odor-active volatiles of orange wine made from a Turkish cv.Kozan(Citrus sinensis L.osbeck).Journal of Agricultural and Food Chemistry,56(1):227-234.
SPINELLI S,LAGARDE A,LOVINELLA I,LEGRAND P,TEGONI M,PELOSI P,CAMBILLAU C,2012.Crystal structure of Apis mellifera,OBP14,a C-minus odorant-binding protein,and its complexes with odorant molecules.Insect Biochemistry&Molecular Biology,42(1):41-50.
SUN L,WANG Q,YANG S,WANG Q,ZHANG Z,KHASHAVEH A,ZHANG Y J,GUOY Y,2017.Functional analysis of female-biased odorant binding protein 6 for volatile and nonvolatile host compounds in Adelphocoris lineolatus(Goeze).Insect Molecular Biology,26(5):601-615.
VTAANDOOS H,KHAZANI A,RAFINEJAD J,KHOOBDELM,KEBRIAI-ZADEH A,ABAI M R,BOJD A A H,AKHAVAN A A,ABTAHI S M,RAFI F,2008.Comparative efficacy of neem and dimethyl phthalate(DMP)against malaria vector,Anopheles stephensi(diptera:culicidae).A-sian Pacific Journal of Tropical Medicine(3):5-10.
VOGT R G,RIDDIFORD L M,1981.Pheromone binding and inactivation by moth antennae.Nature,293:161-163.
WANG Y L,JIN Y C,CHEN Q,WEN M,ZHAO H B,DU-AN H X,REN B Z,2017.Selectivity and ligand-based molecular modeling of an odorant-binding protein from the leaf beetle Ambrostoma quadriimpressum(Coleoptera:Chrysomelidae)in relation to habitat-related volatiles.Scientific Reports,7:15374-15388.
WEBSTER B,CARDER T,2016.Use of habitat odour by hostseeking insects.Biological Reviews,92(2):1241-1249.
ZHANG Y L,FU X B,CUI H C,ZHAO L,YU J Z,LI H L,2018.Functional characteristics,electrophysiological and antennal immunolocalization of general odorant-binding protein 2 in tea geometrid,Ectropis obliqua.International Journal of Molecular Sciences,19(3):875.
ZHANG T T,GU S H,WU K M,ZHANG Y J,GUO Y Y,2011.Construction and analysis of c DNA libraries from the antennae of male and female cotton bollworms Helicoverpa armigera(Hübner)and expression analysis of putative odorant-binding protein genes.Biochemical&Biophysical Research Communications,407(2):393-399.
ZHAO Y N,WANG F Z,ZHONG X Y,ZHANG S H,GUO S L,ZHU G P,LIU Q,LI M,2016.Transcriptome and expression patterns of chemosensory genes in Antennae of the parasitoid wasp Chouioia cunea.PLo S ONE,11(2):e0148159.
ZHU G P,PAN L N,ZHAO Y N,ZHANG X Y,WANG F Z,YU Y,FAN W,LIU Q,ZHANG S,LI M,2016.Chemical investigations of volatile kairomones produced by Hyphantria cunea(Drury),a host of the parasitoid Chouioia cunea Yang.Bulletin of Entomological Research,107(2):234-240.
巩中军,原国辉,郭线茹,安世恒,2005.烟实夜蛾触角普通气味结合蛋白Ⅱc DNA的克隆、序列分析及在大肠杆菌中的表达.昆虫学报,48(1):18-23.
黄顶成,张润志,2011.中国外来入侵种的类群、原产地及变化趋势.生物安全学报,20(2):113-118.
季荣,谢宝瑜,李欣海,高增祥,李典谟,2003.外来入侵种---美国白蛾的研究进展.应用昆虫学报,40(1):13-18.
王凤竹,张新玥,范伟健,赵燕妮,朱庚平,李敏,2017.周氏啮小蜂气味结合蛋白I基因的进化分析.天津师范大学学报(自然科学版),37(1):46-50.
许先进,王存新,1989.分子对接方法在药物发现之外领域的应用.北京工业大学学报,43(12):1872-1880.
杨忠岐,1989.中国寄生于美国白蛾的啮小蜂-新属-新种(膜翅目,姬小蜂科,啮小蜂亚科).昆虫分类学报,(Z1):117-130.
杨忠岐,王小艺,王传珍,乔秀荣,庞建军,2005.白蛾周氏啮小蜂可持续控制美国白蛾的研究.林业科学,41(5):72-80.
杨忠岐,张永安,2007.重大外来入侵害虫---美国白蛾生物防治技术研究.应用昆虫学报,44(4):465-471.
张向欣,王正军,2009.外来入侵种美国白蛾的研究进展.安徽农业科学,37(1):215-219.
张新玥,王凤竹,范伟健,潘丽娜,朱庚平,林艳平,王静,李敏,2018.白蛾周氏啮小蜂普通气味受体OR1的进化分析.天津师范大学学报(自然科学版),38(2):29-34.
张婷,刘乃勇,董双林,2012.甜菜夜蛾触角结合蛋白Ⅱ的c DNA克隆、组织分布及配体结合特性分析.昆虫学报,55(5):499-509.
郑雅楠,祁金玉,孙守慧,杨长成,2012.白蛾周氏啮小蜂Chouioia cunea Yang的研究和生物防治应用进展.中国生物防治学报,28(2):275-281.
AIHETASHAM A,AKHTAR M S,UMER M,RASIB K Z,DIN M I,2017.Bioactivity of extracts of foeniculum vulgare and ocimum basilicum against Heterotermes indicola(Wasmann).Pakistan Journal of Zoology,49(6):2193-2199.
CUI H H,GU S H,ZHU X Q,WEI Y,LIU H W,KHALIDH D,GUO Y Y,ZHANG Y J,2016.Odorant-binding and chemosensory proteins identified in the antennal transcriptome of Adelphocoris suturalis Jakovlev.Comparative Biochemistry&Physiology Part D Genomics&Proteomics,24:139-145.
GEORGE P D C,CHAKRABORTY C,NARAYAN V,THI-RUMAL K D,2014.Computational approaches and resources in single amino acid substitutions analysis toward clinical research.Advances in Protein Chemistry&Structural Biology,94:365-423.
HE X L,TZOTZOS G,WOODCOCK C,PICKETT J A,HOOPER T,FIELD L M,ZHOU J J,2010.Binding of the general odorant binding protein of Bombyx mori BmorGOBP2 to the moth sex pheromone components.Journal of Chemical Ecology,36(12):1293.
KARUNAMOORTHI K,SABESAN S,2010.Laboratory evaluation of dimethyl phthalate treated wristbands against three predominant mosquito(Diptera:Culicidae)vectors of disease.European Review for Medical and Pharmacological Sciences,14(5):443-448.
LEAL W S,2013.Odorant reception in insects:roles of receptors,binding proteins,and degrading enzymes.Annual Review of Entomology,58(1):373-391.
LI H L,ZHAO L,FU X B,SONG X M,WU F,TANG M Z,CUIH C,YU J Z,2017.Physicochemical evidences on the sublethal neonicotinoid imidacloprid interacting with an odorant-binding protein from the tea geometrid moth,Ectropis obliqua.Journal of Agricultural&Food Chemistry,65(16):3276.
MOON J K,SHIBAMOTO T,2009.Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans.Journal of Agricultural and Food Chemistry,57(13):5823-5831.
PAJAROCASTRO N,CABALLEROGALLARDO K,OLIV-EROVERBEL J,2017.Toxicity of naphthalene and benzene on Tribollium castaneum Herbst.International Journal of Environmental Research and Public Health,14(6):667-677.
PELOSI P,IOVINELLA I,ZHU J,WANG G R,2017.Beyond chemoreception:diverse tasks of soluble olfactory proteins in insects.Biological Reviews of the Cambridge Philosophical Society,93(1):184-200.
RAMACHANDRAN G N,RAMAKRISHNAN C,SASISEKHA-RAN V,1963.Stereochemistry of polypeptide chain configurations.Journal of Molecular Biology,7(1):95-99.
SELLI S,CANBAS A,VARLET V,KELEBEK H,PROST C,SEROT T,2008.Characterization of the most odor-active volatiles of orange wine made from a Turkish cv.Kozan(Citrus sinensis L.osbeck).Journal of Agricultural and Food Chemistry,56(1):227-234.
SPINELLI S,LAGARDE A,LOVINELLA I,LEGRAND P,TEGONI M,PELOSI P,CAMBILLAU C,2012.Crystal structure of Apis mellifera,OBP14,a C-minus odorant-binding protein,and its complexes with odorant molecules.Insect Biochemistry&Molecular Biology,42(1):41-50.
SUN L,WANG Q,YANG S,WANG Q,ZHANG Z,KHASHAVEH A,ZHANG Y J,GUOY Y,2017.Functional analysis of female-biased odorant binding protein 6 for volatile and nonvolatile host compounds in Adelphocoris lineolatus(Goeze).Insect Molecular Biology,26(5):601-615.
VTAANDOOS H,KHAZANI A,RAFINEJAD J,KHOOBDELM,KEBRIAI-ZADEH A,ABAI M R,BOJD A A H,AKHAVAN A A,ABTAHI S M,RAFI F,2008.Comparative efficacy of neem and dimethyl phthalate(DMP)against malaria vector,Anopheles stephensi(diptera:culicidae).A-sian Pacific Journal of Tropical Medicine(3):5-10.
VOGT R G,RIDDIFORD L M,1981.Pheromone binding and inactivation by moth antennae.Nature,293:161-163.
WANG Y L,JIN Y C,CHEN Q,WEN M,ZHAO H B,DU-AN H X,REN B Z,2017.Selectivity and ligand-based molecular modeling of an odorant-binding protein from the leaf beetle Ambrostoma quadriimpressum(Coleoptera:Chrysomelidae)in relation to habitat-related volatiles.Scientific Reports,7:15374-15388.
WEBSTER B,CARDER T,2016.Use of habitat odour by hostseeking insects.Biological Reviews,92(2):1241-1249.
ZHANG Y L,FU X B,CUI H C,ZHAO L,YU J Z,LI H L,2018.Functional characteristics,electrophysiological and antennal immunolocalization of general odorant-binding protein 2 in tea geometrid,Ectropis obliqua.International Journal of Molecular Sciences,19(3):875.
ZHANG T T,GU S H,WU K M,ZHANG Y J,GUO Y Y,2011.Construction and analysis of c DNA libraries from the antennae of male and female cotton bollworms Helicoverpa armigera(Hübner)and expression analysis of putative odorant-binding protein genes.Biochemical&Biophysical Research Communications,407(2):393-399.
ZHAO Y N,WANG F Z,ZHONG X Y,ZHANG S H,GUO S L,ZHU G P,LIU Q,LI M,2016.Transcriptome and expression patterns of chemosensory genes in Antennae of the parasitoid wasp Chouioia cunea.PLo S ONE,11(2):e0148159.
ZHU G P,PAN L N,ZHAO Y N,ZHANG X Y,WANG F Z,YU Y,FAN W,LIU Q,ZHANG S,LI M,2016.Chemical investigations of volatile kairomones produced by Hyphantria cunea(Drury),a host of the parasitoid Chouioia cunea Yang.Bulletin of Entomological Research,107(2):234-240.