ArticleCommunications biology2019
Computational modeling of the olfactory receptor Olfr73 suggests a molecular basis for low potency of olfactory receptor-activating compounds.
Article in Communications biology, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Integrated Molecular Informatics and Sensory-Omics Study of Core Trace Components and Microbial Communities in Sauce-Aroma High-Temperature Daqu from Chishui River Basin.Foods (Basel, Switzerland) · 2026Article
- Extra-nasal odorant receptors: molecular mechanisms and therapeutic implications.Frontiers in physiology · 2026Review
- Isocampholenic Acid Derivatives as Potential Fragrances.Molecules (Basel, Switzerland) · 2025Article
- Predictive Machine Learning Models for Olfaction.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Role of Ectopic Olfactory Receptors in the Regulation of the Cardiovascular-Kidney-Metabolic Axis.Life (Basel, Switzerland) · 2024Review
- Computational drug development for membrane protein targets.Nature biotechnology · 2024Review
- Enhancement of transcription efficiency by TAR-Tat system increases the functional expression of human olfactory receptors.PloS one · 2024Article
- Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol ol- factory receptor.Biophysics and physicobiology · 2024Article
- Elucidation of the structural basis for ligand binding and translocation in conserved insect odorant receptor co-receptors.Nature communications · 2023Article
- Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1.Journal of chemical information and modeling · 2023Article
- Olfactory Receptors as an Emerging Chemical Sensing Scaffold.Biochemistry · 2023Review
- Helix encoder: a compound-protein interaction prediction model specifically designed for class A GPCRs.Frontiers in bioinformatics · 2023Article
- Modeling of Olfactory Receptors.Methods in molecular biology (Clifton, N.J.) · 2023Article
- Large-Scale G Protein-Coupled Olfactory Receptor-Ligand Pairing.ACS central science · 2022Article
- Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models.iScience · 2021Review
- Article
- Trends in application of advancing computational approaches in GPCR ligand discovery.Experimental biology and medicine (Maywood, N.J.) · 2021Review
- Bio-Inspired Strategies for Improving the Selectivity and Sensitivity of Artificial Noses: A Review.Sensors (Basel, Switzerland) · 2020Review
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6 authors.
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No grant is acknowledged in the PubMed record.
Abstract
The mammalian olfactory system uses hundreds of specialized G-protein-coupled olfactory receptors (ORs) to discriminate a nearly unlimited number of odorants. Cognate agonists of most ORs have not yet been identified and potential non-olfactory processes mediated by ORs are unknown. Here, we used molecular modeling, fingerprint interaction analysis and molecular dynamics simulations to show that the binding pocket of the prototypical olfactory receptor Olfr73 is smaller, but more flexible, than binding pockets of typical non-olfactory G-protein-coupled receptors. We extended our modeling to virtual screening of a library of 1.6 million compounds against Olfr73. Our screen predicted 25 Olfr73 agonists beyond traditional odorants, of which 17 compounds, some with therapeutic potential, were validated in cell-based assays. Our modeling suggests a molecular basis for reduced interaction contacts between an odorant and its OR and thus the typical low potency of OR-activating compounds. These results provide a proof-of-principle for identifying novel therapeutic OR agonists.
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