title: Molecular Characterization and In Silico Analysis of the Pheromone-Binding Protein of the European Grapevine Moth Lobesia botrana (Denis & Schiffermüller) (Lepidoptera, Tortricidae).
abstract: The European grapevine moth Lobesia botrana (Denis & Schiffermüller) is an economically important insect in Europe. The species invaded vineyards in Chile, Argentina, and California during 2008-2010 causing severe problems. A major component of the sex pheromone, (E,Z)-7,9-dodecadienyl acetate (E7,Z9-12:Ac), is used in a mating disruption technique when grapevine moth populations are low or to monitor pest numbers. It is thought that these sexual pheromones are blends of volatiles that typically are specific to a species and are transported in the insect antenna by pheromone-binding proteins (PBPs) across the sensillar lymph to the olfactory receptors. Currently, an increasing number of Lepidopteran PBPs are being identified and cloned. However, there are no studies of the olfactory system and of proteins involved in the olfactory perception of L. botrana at the molecular level. In the present study, we report, for the first time, the sequence of a PBP from L. botrana (LbotPBP), which was determined using reverse transcription technology. Homology modeling was used to generate the three-dimensional protein structure. The model suggests that PBP consists of six α-helices as follows: Lys2-Met23 (α1), Thr28-Phe36 (α2), Arg46-Leu59 (α3), His70-Asn80 (α4), Glu84-Asn100 (α5), and Cys108-Lys125 (α6), held together by three disulfide bridges, Cys19-Cys54, Cys50-Cys108, and Cys97-Cys117. Docking simulations based on this model suggested that Trp114 is a key residue in the recognition of acetate pheromones, such as E7,Z9-12:Ac. In silico results in this study are consistent with previous findings in which E7,Z9-12:Ac acts as the most active compound in behavioral and electroantennographic assays.
authors.affiliation: Lab de Química Ecológica, Depto de Ciencias Químicas y Recursos Naturales, Univ de La Frontera, Temuco, Araucanía, Chile. ana.mutis@ufrontera.cl.
authors.forename: A
authors.initials: A
authors.lastname: Mutis
authors.affiliation: Lab Interacciones Insecto-Planta, Instituto de Biología Vegetal y Biotecnología, Univ de Talca, Talca, Chile.
authors.forename: R
authors.initials: R
authors.lastname: Palma
authors.affiliation: Lab de Química Ecológica, Depto de Ciencias Químicas y Recursos Naturales, Univ de La Frontera, Temuco, Araucanía, Chile.
authors.forename: H
authors.initials: H
authors.lastname: Venthur
authors.affiliation: Lab de Síntesis Orgánica, Depto de Química, Fac de Ciencias, Univ de Chile, Las Palmeras, Santiago, Chile.
authors.forename: P
authors.initials: P
authors.lastname: Iturriaga-Vásquez
authors.affiliation: Lab de Síntesis Orgánica, Depto de Química, Fac de Ciencias, Univ de Chile, Las Palmeras, Santiago, Chile.
authors.forename: M
authors.initials: M
authors.lastname: Faundez-Parraguez
authors.affiliation: Center of Waste Management and Bioenergy, Scientific and Technological Bioresource Nucleus, Univ de La Frontera, Temuco, Araucanía, Chile.
authors.forename: R
authors.initials: R
authors.lastname: Mella-Herrera
authors.affiliation: Lab of Agricultural Entomology, Dept of Entomology and Agricultural Zoology, Benaki Phytopathological Institute, Kifissia, Greece.
authors.forename: D
authors.initials: D
authors.lastname: Kontodimas
authors.affiliation: Programa Moscas de la Fruta, División de Protección Agrícola y Forestal, Servicio Agrícola y Ganadero (SAG), Santiago, Chile.
authors.forename: C
authors.initials: C
authors.lastname: Lobos
authors.affiliation: Lab de Química Ecológica, Depto de Ciencias Químicas y Recursos Naturales, Univ de La Frontera, Temuco, Araucanía, Chile.
authors.forename: A
authors.initials: A
authors.lastname: Quiroz
mesh_terms: D000818:Animals; D001118:Argentina; D002352:Carrier Proteins / Q000235:genetics*; D002677:Chile; D003198:Computer Simulation; D019476:Insect Proteins; D009036:Moths / Q000235:genetics* / Q000502:physiology; D010675:Pheromones / Q000235:genetics*
chemical_list: D002352:Carrier Proteins; D019476:Insect Proteins; D010675:Pheromones
keywords: (E,Z)-7,9-dodecadienyl acetate; Acetate binding site; molecular docking; molecular modeling; pheromone-binding protein