ArticleCellular and molecular life sciences : CMLS2012
Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents.
Article in Cellular and molecular life sciences : CMLS, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed, 109 citations in OpenAlex.
- Chemical Composition and Repellent Activity of Strobilanthes tonkinensis Foliar Extract and Its Fractions Against Tribolium castaneum.Chemistry & biodiversity · 2026Article
- A Safer Alternative Bio-Repellent: Targeting Mosquito Odorant-Binding Proteins with Catnip-Derived Nepetalactones fromInternational journal of molecular sciences · 2026Article
- AgamOBP1-Directed Discovery of Repellents to Control the Spread of Mosquito-Borne Diseases.ChemMedChem · 2025Article
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- Mlp4green: A Binary Classification Approach Specifically for Green Odor.International journal of molecular sciences · 2024Article
- Exploring the combinatorial explosion of amine-acid reaction space via graph editing.Communications chemistry · 2024Article
- Expression and purification of Drosophila OBP44a with the aids of LC-MS and NMR.Protein expression and purification · 2023Article
- Roles of insect odorant binding proteins in communication and xenobiotic adaptation.Frontiers in insect science · 2023Review
- Methanolic Extracts ofPlants (Basel, Switzerland) · 2022Article
- Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1.Molecules (Basel, Switzerland) · 2022Article
- Molecular insights on ar-turmerone as a structural, functional and pharmacophoric analogue of synthetic mosquito repellent DEET by comprehensive computational assessment.Scientific reports · 2022Article
- The Olfactory Chemosensation of Hematophagous Hemipteran Insects.Frontiers in physiology · 2021Review
- The Drosophila odorant-binding protein 28a is involved in the detection of the floral odour ß-ionone.Cellular and molecular life sciences : CMLS · 2020Article
- Modification of an Anopheles gambiae odorant binding protein to create an array of chemical sensors for detection of drugs.Scientific reports · 2020Article
- Molecular characteristics of odorant-binding protein 1 in Anopheles maculipennis.Malaria journal · 2020Article
- Functional Analysis of Two Odorant-Binding Proteins, MaltOBP9 and MaltOBP10, inFrontiers in physiology · 2020Article
- Article
- Biosensors to Monitor Water Quality Utilizing Insect Odorant-Binding Proteins as Detector Elements.Biosensors · 2019Article
- The Targeted Pesticides as Acetylcholinesterase Inhibitors: Comprehensive Cross-Organism Molecular Modelling Studies Performed to Anticipate the Pharmacology of Harmfulness to Humans In Vitro.Molecules (Basel, Switzerland) · 2018Article
- Computational investigation of the molecular conformation-dependent binding mode of (E)-β-farnesene analogs with a heterocycle to aphid odorant-binding proteins.Journal of molecular modeling · 2018Article
Corrections and comments
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Authors and funding
9 authors at 4 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Insect odorant binding proteins (OBPs) are the first components of the olfactory system to encounter and bind attractant and repellent odors emanating from various sources for presentation to olfactory receptors, which trigger relevant signal transduction cascades culminating in specific physiological and behavioral responses. For disease vectors, particularly hematophagous mosquitoes, repellents represent important defenses against parasitic diseases because they effect a reduction in the rate of contact between the vectors and humans. OBPs are targets for structure-based rational approaches for the discovery of new repellent or other olfaction inhibitory compounds with desirable features. Thus, a study was conducted to characterize the high resolution crystal structure of an OBP of Anopheles gambiae, the African malaria mosquito vector, in complex with N,N-diethyl-m-toluamide (DEET), one of the most effective repellents that has been in worldwide use for six decades. We found that DEET binds at the edge of a long hydrophobic tunnel by exploiting numerous non-polar interactions and one hydrogen bond, which is perceived to be critical for DEET's recognition. Based on the experimentally determined affinity of AgamOBP1 for DEET (K (d) of 31.3 μΜ) and our structural data, we modeled the interactions for this protein with 29 promising leads reported in the literature to have significant repellent activities, and carried out fluorescence binding studies with four highly ranked ligands. Our experimental results confirmed the modeling predictions indicating that structure-based modeling could facilitate the design of novel repellents with enhanced binding affinity and selectivity.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.