Theoretical Analysis of Androstenone Adsorption on Chimpanzee and Gorilla Olfactory Receptors (G‐Protein): Statistical Physics Modeling, Molecular Docking Simulation, and Thermodynamic Investigation
6 affiliations
- 1Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir Monastir Tunisia
- 2Department of Physics, College of Science Princess NourahbintAbdulrahman University Riyadh Saudi Arabia
- 3Materials Science and Engineering Graduate Program Federal University of Pelotas (UFPel) Pelotas Brazil
- 4Department of Physics, College of Science Qassim University Buraidah Saudi Arabia
- 5Department of Physics, College of Science Northern Border University Arar Saudi Arabia
- 6Research Group on Adsorptive and Catalytic Process Engineering (ENGEPAC) Federal University of Santa Maria Santa Maria Brazil
Abstract
An advanced theory based on statistical physics was applied to microscopically investigate androstenone adsorption and its relationship with olfactory perception in chimpanzees and gorillas. For this purpose, dose–response curves of androstenone on olfactory receptors of chimpanzee OR7D4 and gorilla OR7D4 were analyzed by statistical physics. The two‐energy adsorption model fits the chimpanzee data well, and the gorilla data are best fit by the one‐energy adsorption model. The stereographic parameter analysis indicated that the studied pheromones were docked in a nonparallel manner in both species via a multimolecular mechanism. The analysis showed that the molecules interacted with different amino acid residues, resulting in distinct olfactory responses. The positive values of the molar adsorption energies indicate that an exothermic and physisorption process occurred in both olfactory systems. The docking analysis revealed that androstenone binds to the olfactory receptors of chimpanzees and gorillas through specific interactions with amino acid residues in the binding pockets. The docking results indicated distinct binding modes in each species, involving van der Waals, alkyl, and C–H interactions, which corroborated the energy trends predicted by the statistical physics model. These findings provided insights into the molecular mechanisms underlying the differential olfactory responses in chimpanzees and gorillas. Statistical physics was an excellent tool for evaluating and interpreting the interactions between androstenone and olfactory receptors.
Related
- Experimental and theoretical investigation of parameter-driven stability and chaos in a non-linear neuron circuit model
- IntegroPectin in aqueous solution: a multi-scale computational investigation of solvation, conformational dynamics, and thermodynamic partitioning of a naringeningalacturonic acid–rhamnose glycoconjugate
- Thermodynamic and Statistical Signatures of Modality Changes in Concentration Distributions Driven by Stochastic Switching Between Two Activity States
- Thermodynamic Diversity in Staphylococcal Nitrate Sensors with a Conserved Binding Pocket
- Beyond species area curves: a theoretical approach to the relationship between diversity and area
BibTeX
@article{khemis2026theoretical,
title = {{Theoretical Analysis of Androstenone Adsorption on Chimpanzee and Gorilla Olfactory Receptors (G‐Protein): Statistical Physics Modeling, Molecular Docking Simulation, and Thermodynamic Investigation}},
author = {Ismahene Ben Khemis and Olfa Noureddine and Fatma Aouaini and Ghadeer Mohsen Albadrani and Ana Carolina Ferreira Piazzi Fuhr and Nizar Lefi and Salah Knani and GuilhermeLuiz Dotto and Abdelmottaleb Ben Lamine},
journal = {Proteins},
year = {2026},
month = aug,
doi = {10.1002/prot.70166},
url = {https://doi.org/10.1002/prot.70166},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Theoretical Analysis of Androstenone Adsorption on Chimpanzee and Gorilla Olfactory Receptors (G‐Protein): Statistical Physics Modeling, Molecular Docking Simulation, and Thermodynamic Investigation
AU - Ismahene Ben Khemis
AU - Olfa Noureddine
AU - Fatma Aouaini
AU - Ghadeer Mohsen Albadrani
AU - Ana Carolina Ferreira Piazzi Fuhr
AU - Nizar Lefi
AU - Salah Knani
AU - GuilhermeLuiz Dotto
AU - Abdelmottaleb Ben Lamine
PY - 2026
DA - 2026/08/13
JO - Proteins
DO - 10.1002/prot.70166
UR - https://doi.org/10.1002/prot.70166
AB - An advanced theory based on statistical physics was applied to microscopically investigate androstenone adsorption and its relationship with olfactory perception in chimpanzees and gorillas. For this purpose, dose–response curves of androstenone on olfactory receptors of chimpanzee OR7D4 and gorilla OR7D4 were analyzed by statistical physics. The two‐energy adsorption model fits the chimpanzee data well, and the gorilla data are best fit by the one‐energy adsorption model. The stereographic parameter analysis indicated that the studied pheromones were docked in a nonparallel manner in both species via a multimolecular mechanism. The analysis showed that the molecules interacted with different amino acid residues, resulting in distinct olfactory responses. The positive values of the molar adsorption energies indicate that an exothermic and physisorption process occurred in both olfactory systems. The docking analysis revealed that androstenone binds to the olfactory receptors of chimpanzees and gorillas through specific interactions with amino acid residues in the binding pockets. The docking results indicated distinct binding modes in each species, involving van der Waals, alkyl, and C–H interactions, which corroborated the energy trends predicted by the statistical physics model. These findings provided insights into the molecular mechanisms underlying the differential olfactory responses in chimpanzees and gorillas. Statistical physics was an excellent tool for evaluating and interpreting the interactions between androstenone and olfactory receptors.
SN - 0887-3585
SN - 1097-0134
ER -