Abstract. This review describes the main characteristics of odorant-binding proteins (OBPs) for homology modelling and presents a summary of structure prediction studies on insect OBPs, along with the steps involved and some limitations and improvements. The technique involves a computing approach to model protein structures and is based on a comparison between a target (unknown structure) and one or more templates (experimentally determined structures). As targets for structure prediction, OBPs are considered to play a functional role for recognition, desorption, scavenging, protection and transportation of hydrophobic molecules (odourants) across an aqueous environment (lymph) to olfactory receptor neurones (ORNs) located in sensilla, the main olfactory units of insect antennae. Lepidopteran pheromone-binding proteins, a subgroup of OBPs, are characterized by remarkable structural features, in which high sequence identities (approximately 30%) among these OBPs and a large number of available templates can facilitate the prediction of precise homology models. Approximately 30 studies have been performed on insect OBPs using homology modelling as a tool to predict their structures. Although some of the studies have assessed ligand-binding affinity using structural information and biochemical measurements, few have performed docking and molecular dynamic (MD) simulations as a virtual method to predict best ligands. Docking and MD simulations are discussed in the context of discovery of novel semiochemicals (super-ligands) using homology modelling to conceive further strategies in insect management.

Abstract'Murtilla' (Ugni molinae Turcz) is a native Chilean species that belongs to the Myrtaceae family. It produces a small, globular fruit with pleasant flavor and recognized antioxidant activity. Convective hot-air and freeze drying are important techniques for fruit preservation, but their effect on murtilla fruit polyphenols and antioxidant activity has not yet been studied simultaneously. The objective of this study was to compare the effect of convective hot-air drying at 65 and 80 ºC and freeze drying on total polyphenol content (TPC), total anthocyanin content (TAC), polyphenols and anthocyanins of the Red Pearl-INIA variety of fresh murtilla fruits as measured by HPLC and antioxidant activity (DPPH and ABTS). The freeze dried fruit retained higher values for TPC (2192.4 mg/100 g d.w.), TAC (13.4 mg/100 g d.w.), polyphenols (79.02 mg/100 g d.w. by HPLC) and anthocyanins (0.188 mg/100 g d.w. by HPLC) than the murtilla dried by convective hot-air at both 65 and 80 ºC. The application of all treatments showed a positive increase in the DPPH (2945.4 to 3677.6 μmol TE/100 g d.w.) and ABTS (2664.8 to 3397.2 μmol TE/100 g d.w.) antioxidant activity of the dried murtilla compared to the DPPH (2111.1 μmol TE/100 g d.w.) and ABTS (2247.8 μmol TE/100 g d.w.) of the fresh fruit. Freeze drying was the best technique for the retention of polyphenols and antioxidant activity from the fresh murtilla fruit. Therefore, freeze drying is recommended over convective hot-air drying at 65 and 80 ºC when these bioactive compounds need to be preserved.

Polyphenol content and antioxidant activity in murtilla (Ugni molinae Turcz) fruit from three genotypes (the 14-4 genotype and the Red Pearl-INIA and South Pearl-INIA varieties) were studied over five growing seasons. Our results showed significant differences in total polyphenol content among yearly harvests. The lowest value (283 ± 72 mg GAE/100 g dw) was obtained for the 14-4 genotype in the 2008 harvest, and the highest value (2,152 ± 290 mg GAE/100 g dw) was observed for the variety South Pearl-INIA in 2007. The lowest value for antioxidant activity (2,234 ± 337 µmol TE/100 g dw) was obtained for the Red Pearl-INIA variety in 2008, and the highest value (4,073 ± 76 µmol TE/100 g dw) was observed for the 14-4 genotype in 2007. There was a significant effect of genotype and growing season on polyphenol content, antioxidant activity and dry matter content for the murtilla fruits evaluated in this study, but additional studies examining other abiotic and biotic factors are required to fully explain causality.

The objective of this study was to evaluate the role of host volatiles in the relationship between a blueberry plant Vaccinium corymbosum L. and the raspberry weevil Aegorhinus superciliosus (Guérin) (Coleoptera: Curculionidae), the principal pest of blueberry in the south of Chile. Volatiles from the aerial part of different phenological stages of the host were collected on Porapak Q and analyzed by coupled gas chromatography-mass spectrometry (GC-MS). Several chemical groups were identified including green leaf volatiles, aromatic compounds, and terpenes. The olfactometric responses of A. superciliosus toward different odor sources were studied in a four-arm olfactometer. Blueberry shoots at the phenological stages of fruit set, and blue-pink fruit color elicited the greatest behavioral responses from weevils. Five compounds (2-nonanone, eucalyptol, R- and S-limonene, and 4-ethyl benzaldehyde) elicited an attractant behavioral response from A. superciliosus. The results suggest the host location behavior of A. superciliosus could be mediated by volatiles derived from V. corymbosum. This work has identified a number of compounds with which it is possible to develop a lure for the principal pest of blueberry in southern Chile.

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Root volatiles from field-collected red clover plants, Trifolium pratense L., of five different ages were trapped by solid-phase microextraction (SPME) and analyzed by gas chromatography-mass spectrometry (GC-MS). Ethanol, E-2-hexenal, hexanal, 3-octanone, limonene and α-pinene were identified. The electroantennographic (EAG) and olfactometric responses of clover root borer, Hylastinus obscurus, to the identified compounds were studied. The GC-MS with SPME as a solvent-free collection method identified ethanol and hexanal compounds that have not previously been reported in T. pratense. The EAG experiments showed that all of the tested compounds were perceived by H. obscurus, but mixed responses were found in behavioral assays. For females, ethanol and E-2-hexenal were attractive at one or more of the tested doses, while hexanal, 3-octanone, R-limonene and S-limonene were repellent at one or more of the tested doses. Females responded to a larger number of tested compounds and a wider range doses compared to males. This behavior could reflect a more active role of females in host finding and colonization.

Numerous studies of insect species have shown that a subset of female cuticular hydrocarbons is used as short-range or contact pheromones. Here, we studied the possible use of contact pheromones in the mating behavior of the weevil Aegorhinus superciliosus, a native species of Chile. Males mounted females only after antennal contact with the female's cuticle, and only 33% of the males attempted to mate with dead females washed with solvent. When a glass rod (dummy) was coated with female cuticular extracts, males exhibited behaviors similar to those observed with females. A preliminary gas chromatography-mass spectrometry (GC-MS) analysis of cuticular extracts indicated that males and females share a series of aliphatic hydrocarbons but that the relative abundance of some of these compounds differ between the sexes. These results suggest that cuticular lipids mediate mating behavior of the raspberry weevil and provide the first evidence of contact pheromones in curculionids.

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