ArticleScientific reports2025
New insights into the docking mechanism of vanillin on three mammalian olfactory receptors via a new statistical physics model.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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4 citing papers in PubMed.
- PharmaGNN: a model for odor prediction based on graph neural networks.Journal of the science of food and agriculture · 2026Article
- Theoretical study for investigating three experimental dose-response curves of rosy odorants on human olfactory receptor OR2A25 via molecular docking calculations and statistical physics modeling.Journal of computer-aided molecular design · 2026Article
- Formation of characteristic aroma compounds in walnut kernels during thermal processing and their potential recognition by human olfactory receptors.Food chemistry: X · 2026Article
- Molecular Mechanism Analysis of the Activation of Human Olfactory Receptor OR9Q2 by 4-Methylphenol.Foods (Basel, Switzerland) · 2025Article
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6 authors.
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Abstract
A new finite multi-layer model coupled with real gas law is successfully established using statistical physics theory and applied to theoretically characterize the docking process of vanillin key food odorant on human hOR8H1, chimpanzee cOR8H1, and horse hoOR8H1 olfactory receptors. To deeply comprehend and analyze the mechanism of adsorption involved in the sense of smell, stereographic, van der Waals, and energetic metrics are interpreted. Indeed, modeling findings reveal that the vanillin molecules are non-parallelly docked on the binding sites of the three mammalian olfactory receptors. The van der Waals parameters serve as valuable tools for assessing the stability of the formed complexes during adsorption. The molar adsorption energy values, ranging from 18.26 to 20.75 kJ/mol, suggest that the vanillin molecules are exothermically-physisorbed on hOR8H1, cOR8H1, and hoOR8H1. In addition, the energetic parameter may also be deployed to quantitatively characterize the interactions between the vanillin molecules and the three mammalian receptors.
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