Applications of Molecular Modeling in the Design of New Insect Repellents Targeting the Odorant Binding Protein of Anopheles gambiae

Affonso, Raphael da Silva; Guimarães, Ana P.; Oliveira, Azauri Albano de; Slana, Glaucia Barbosa Candido Alves; França, Tanos C. C.

doi:10.5935/0103-5053.20130059

Cited by 9 publications

(17 citation statements)

References 2 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…2009 ), and to relate them to their biological activity ( He et al. 2010 ) in the design of new insect repellents ( Affonso et al. 2013 ) and olfactory biosensors ( Lu et al.…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Virtual Screening of Plant Volatile Compounds Reveals a High Affinity ofHylamorpha elegans(Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host

et al. 2016

View full text Add to dashboard Cite

Hylamorpha elegans (Burmeister) is a native Chilean scarab beetle considered to be a relevant agricultural pest to pasture and cereal and small fruit crops. Because of their cryptic habits, control with conventional methods is difficult; therefore, alternative and environmentally friendly control strategies are highly desirable. The study of proteins that participate in the recognition of odorants, such as odorant-binding proteins (OBPs), offers interesting opportunities to identify new compounds with the potential to modify pest behavior and computational screening of compounds, which is commonly used in drug discovery, may help to accelerate the discovery of new semiochemicals. Here, we report the discovery of four OBPs in H. elegans as well as six new volatiles released by its native host Nothofagus obliqua (Mirbel). Molecular docking performed between OBPs and new and previously reported volatiles from N. obliqua revealed the best binding energy values for sesquiterpenic compounds. Despite remarkable divergence at the amino acid level, three of the four OBPs evaluated exhibited the best interaction energy for the same ligands. Molecular dynamics investigation reinforced the importance of sesquiterpenes, showing that hydrophobic residues of the OBPs interacted most frequently with the tested ligands, and binding free energy calculations demonstrated van der Waals and hydrophobic interactions to be the most important. Altogether, the results suggest that sesquiterpenes are interesting candidates for in vitro and in vivo assays to assess their potential application in pest management strategies.

show abstract

“…2009 ), and to relate them to their biological activity ( He et al. 2010 ) in the design of new insect repellents ( Affonso et al. 2013 ) and olfactory biosensors ( Lu et al.…”

Section: Discussionmentioning

confidence: 99%

“…2014 ). Altogether, MD simulations are useful for establishing compounds are stabilized in binding pockets ( Affonso et al. 2013 ).…”

Section: Discussionmentioning

confidence: 99%

Virtual Screening of Plant Volatile Compounds Reveals a High Affinity ofHylamorpha elegans(Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host

et al. 2016

View full text Add to dashboard Cite

show abstract

“…A. aegypti OBP22 protein is present in the edges of tracheal spiracles in the thorax, which was its respiratory system (Li et al., ). They may also have other physiological functions (Bianchi et al., ; Affonso et al., ).…”

Section: Discussionmentioning

confidence: 99%

“…Recently, several studies have shown that OBPs are required for correct recognition of some odors (Kim et al., ; Krieger and Ross, ; Xu et al., ; Matsuo et al., ; Laughlin et al., ; Jeong et al., ). And the traits of the OBP protein have some preliminary applications in the design of new drugs and the removal of environmental pollutants (Bianchi et al., ; Affonso et al., ).…”

Section: Introductionmentioning

confidence: 99%

CONSTRUCTION AND ANALYSIS OF ANTENNAL cDNA LIBRARY FROM RICE STRIPED STEM BORER, Chilo suppressalis (WALKER) (LEPIDOPTERA: PYRALIDAE), AND EXPRESSION PROFILES OF PUTATIVE ODORANT‐BINDING PROTEIN AND CHEMOSENSORY PROTEIN GENES

Liu

Jiang

Zhou

et al. 2015

Arch Insect Biochem Physiol

View full text Add to dashboard Cite

In this study, we constructed a high-quality cDNA library from the antennae of the Chilo suppressalis (Walker) (Lepidoptera: Pyralidae). A total of 1,235 colonies with inserts greater than 0.7 kb were sequenced and analyzed. Homology searching coupled with bioinformatics analysis identified 15 and 7 cDNA sequences, respectively, encoding putative odorant-binding proteins (OBPs) and chemosensory proteins (CSPs). A phylogenetic tree of CsupCSPs showed that each CsupCSP has orthologs in Manduca sexta and Bombyx mori with strong bootstrapping support. One CSP was either very specific or more related to the CSPs of another species than to conspecific CSP. The expression profiles of the OBPs and CSPs in different tissues were measured by real-time quantitative PCR. The results revealed that of the 11 OBP genes, the transcript levels of CsupOBP1, CsupOBP5, and CsupOBP7 were higher in both male and female antennae than those in other tissues. And CsupCSP7 was highly expressed in both male and female antennae. Based on these results, the possible physiological functions of CsupOBPs and CsupCSPs were discussed.

show abstract

“…Moreover, olfactory based systems [ 54 ] such as OBP coupled biosensors might improve pest and plant disease monitoring [ 55 , 56 ], risk assessment [ 57 ], or prevent infestation by camouflaging or repelling [ 58 , 59 ]. This could offer novel eco-friendly and cost effective ways to combat the fast adaption of Tribolium against several insecticides and respective resistance development [ 60 , 61 ] and thus improve the protection of stored agricultural products [ 62 ] against migrating beetles [ 63 ].…”

Section: Introductionmentioning

confidence: 99%

Tissue-specific transcriptomics, chromosomal localization, and phylogeny of chemosensory and odorant binding proteins from the red flour beetle Tribolium castaneum reveal subgroup specificities for olfaction or more general functions

Oberhofer²,

et al. 2014

View full text Add to dashboard Cite

BackgroundChemoreception is based on the senses of smell and taste that are crucial for animals to find new food sources, shelter, and mates. The initial step in olfaction involves the translocation of odorants from the periphery through the aqueous lymph of the olfactory sensilla to the odorant receptors most likely by chemosensory proteins (CSPs) or odorant binding proteins (OBPs).ResultsTo better understand the roles of CSPs and OBPs in a coleopteran pest species, the red flour beetle Tribolium castaneum (Coleoptera, Tenebrionidae), we performed transcriptome analyses of male and female antennae, heads, mouthparts, legs, and bodies, which revealed that all 20 CSPs and 49 of the 50 previously annotated OBPs are transcribed. Only six of the 20 CSP are significantly transcriptionally enriched in the main chemosensory tissues (antenna and/or mouthparts), whereas of the OBPs all eight members of the antenna binding proteins II (ABPII) subgroup, 18 of the 20 classic OBP subgroup, the C + OBP, and only five of the 21 C-OBPs show increased chemosensory tissue expression. By MALDI-TOF-TOF MS protein fingerprinting, we confirmed three CSPs, four ABPIIs, three classic OBPs, and four C-OBPs in the antennae.ConclusionsMost of the classic OBPs and all ABPIIs are likely involved in chemoreception. A few are also present in other tissues such as odoriferous glands and testes and may be involved in release or transfer of chemical signals. The majority of the CSPs as well as the C-OBPs are not enriched in antennae or mouthparts, suggesting a more general role in the transport of hydrophobic molecules.Electronic supplementary materialThe online version of this article (doi:10.1186/1471-2164-15-1141) contains supplementary material, which is available to authorized users.

show abstract

Applications of Molecular Modeling in the Design of New Insect Repellents Targeting the Odorant Binding Protein of Anopheles gambiae

Cited by 9 publications

References 2 publications

Virtual Screening of Plant Volatile Compounds Reveals a High Affinity ofHylamorpha elegans(Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host

Virtual Screening of Plant Volatile Compounds Reveals a High Affinity ofHylamorpha elegans(Coleoptera: Scarabaeidae) Odorant-Binding Proteins for Sesquiterpenes From Its Native Host

CONSTRUCTION AND ANALYSIS OF ANTENNAL cDNA LIBRARY FROM RICE STRIPED STEM BORER, Chilo suppressalis (WALKER) (LEPIDOPTERA: PYRALIDAE), AND EXPRESSION PROFILES OF PUTATIVE ODORANT‐BINDING PROTEIN AND CHEMOSENSORY PROTEIN GENES

Tissue-specific transcriptomics, chromosomal localization, and phylogeny of chemosensory and odorant binding proteins from the red flour beetle Tribolium castaneum reveal subgroup specificities for olfaction or more general functions

Contact Info

Product

Resources

About