title: Molecular cloning and structural characterization of Ecdysis Triggering Hormone from Choristoneura fumiferana.
abstract: At the end of each stadium, insects undergo a precisely orchestrated process known as ecdysis which results in the replacement of the old cuticle with a new one. This physiological event is necessary to accommodate growth in arthropods since they have a rigid chitinous exoskeleton. Ecdysis is initiated by the direct action of Ecdysis Triggering Hormones on the central nervous system. Choristoneura fumiferana is a major defoliator of coniferous forests in Eastern North America. It is assumed that, studies on the ecdysis behavior of this pest might lead to the development of novel pest management strategies. Hence in this study, the cDNA of CfETH was cloned. The open reading frame of the cDNA sequence was found to encode three putative peptides viz., Pre-Ecdysis Triggering Hormone (PETH), Ecdysis Triggering Hormone (ETH), and Ecdysis Triggering Hormone Associated Peptide (ETH-AP). The CfETH transcript was detected in the epidermal tissue of larval and pupal stages, but not in eggs and adults. In order to explore the structural conformation of ETH, ab initio modelling and Molecular Dynamics (MD) Simulations were performed. Further, a library of insecticides was generated and virtual screening was performed to identify the compounds displaying high binding capacity to ETH.
authors.affiliation: Centre for Bioinformatics, School of Life Sciences, Pondicherry University, India.
authors.forename: Bhagath Kumar
authors.initials: BK
authors.lastname: P
authors.affiliation: Centre for Bioinformatics, School of Life Sciences, Pondicherry University, India.
authors.forename: Kasi Viswanath
authors.initials: KV
authors.lastname: K
authors.affiliation: Centre for Bioinformatics, School of Life Sciences, Pondicherry University, India.
authors.forename: Tuleshwori Devi
authors.initials: TD
authors.lastname: S
authors.affiliation: Centre for Bioinformatics, School of Life Sciences, Pondicherry University, India.
authors.forename: Sampath Kumar
authors.initials: SK
authors.lastname: R
authors.affiliation: Natural Resources Canada, Sault Ste. Marie, Ontario, Canada.
authors.forename: Daniel
authors.initials: D
authors.lastname: Doucet
authors.affiliation: Natural Resources Canada, Sault Ste. Marie, Ontario, Canada.
authors.forename: Arthur
authors.initials: A
authors.lastname: Retnakaran
authors.affiliation: Department of Microbiology and Cellular Biology, University of Guelph, Guelph, Ontario, Canada.
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Krell
authors.affiliation: Natural Resources Canada, Sault Ste. Marie, Ontario, Canada.
authors.forename: Qili
authors.initials: Q
authors.lastname: Feng
authors.affiliation: Centre for Bioinformatics, School of Life Sciences, Pondicherry University, India. Electronic address: ampasaladr@bicpu.edu.in.
authors.forename: Dinakara Rao
authors.initials: DR
authors.lastname: Ampasala
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D003001:Cloning, Molecular; D018076:DNA, Complementary / Q000235:genetics / Q000378:metabolism; D018507:Gene Expression Regulation, Developmental; D057166:High-Throughput Screening Assays; D007301:Insect Hormones / Q000037:antagonists & inhibitors / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D007306:Insecticides / Q000737:chemistry*; D007814:Larva / Q000235:genetics / Q000254:growth & development / Q000378:metabolism; D007915:Lepidoptera / Q000235:genetics* / Q000254:growth & development / Q000378:metabolism; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D018978:Molting / Q000235:genetics*; D016366:Open Reading Frames; D011679:Pupa / Q000235:genetics / Q000254:growth & development / Q000378:metabolism; D012333:RNA, Messenger / Q000235:genetics / Q000378:metabolism; D016415:Sequence Alignment; D054852:Small Molecule Libraries / Q000737:chemistry*; D014584:User-Computer Interface
chemical_list: D018076:DNA, Complementary; D007301:Insect Hormones; D007306:Insecticides; D012333:RNA, Messenger; D054852:Small Molecule Libraries
keywords: Cloning; Developmental studies; ETH; Ecdysis; In silico studies