ArticleJournal of computer-aided molecular design2026
Advanced insights into the adsorption mechanism of coumarin compounds on mouse olfactory receptors: a statistical physics, thermodynamic, and molecular docking analysis.
Article in Journal of computer-aided molecular design, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this paper, a combined statistical physics and computational modeling framework was used to elucidate the molecular mechanism of olfaction through a putative adsorption process in which coumarin compounds bind to the mouse olfactory receptors Olfr924, Olfr285, and Olfr1016. Adsorption isotherms derived from experimental data were analyzed using both monolayer and double-layer statistical physics models, enabling the quantitative determination of steric and energetic parameters governing odorant-receptor interactions. The steric analysis reveals diverse anchoring behaviors, with coumarin molecules adopting both parallel and non-parallel orientations relative to receptor binding sites, indicative of mixed adsorption configurations. The estimated adsorption energies, ranging from 13.563 to 33.872 kJ/mol, suggest that the coumarin compounds are physically adsorbed onto the receptors, offering insight into the steric and energetic heterogeneity of the receptor. Moreover, the application of statistical physics modeling enabled a detailed steric characterization of the receptor surface through binding site size distributions (BSDs) and an energetic characterization via adsorption energy distributions (AEDs). To complement microscopic analysis, a macroscopic thermodynamic study was also performed, providing further insight into the adsorption behavior of coumarin compounds on the olfactory receptors. To further validate and complement these findings, molecular docking simulations were performed to identify interaction types and binding modes between coumarin ligands and olfactory receptors. Together, these results demonstrate the effectiveness of integrating statistical physics modeling with molecular docking to elucidate mechanisms of olfactory perception at both microscopic and macroscopic scales. The three complexes formed between coumarin and the olfactory receptor sites (Olfr285, Olfr924, and Olfr1016) have been analyzed using molecular docking simulations, molecular dynamics simulations, and free binding energies calculated using the molecular mechanics-Poisson-Boltzmann surface (MM-PBSA) and molecular mechanics-generalized Born surface (MM-GBSA) methods.
Indexed as
Identifiers
42828593What Socratic holds
Registered trials
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 Socratic graph.