Advanced investigation of adsorption process of the five main responses of taste molecules onto the gerbil receptor sites (GCaMP3): Steric, molecular docking, and energy interpretations

Abstract

In this research work, an adsorption phenomenon putatively in the process of taste at a molecular level for understanding the five principal tastes using experimental dose-gustatory responses on receptors sites of gerbil (GCaMP3). In order to perform theoretical interpretations of the experimental data of dose gustatory response curve were fitted with the single-layer physical model (PMM) for sucrose, cycloheximide, quinine and MSG. However, a two-layer with two-energies model for NaCl and citric acid. The modeling discussion indicated that all six molecules were linked with the gerbil receptor sites of tasting surface by a parallel and a no parallel orientations. In addition, the linking adsorption energies are ranged from 3.15 to 14.19 kJ/mol for all tasting molecules, which suggested that this process is performed by a reversible physical adsorption. These physico-chemical model parameters are utilized to determine the molar energy of adsorption for various taste-entities. By fitting the number of adsorbed molecules or molecular anchors per site, a stereographic and energetic characterization of interactions between six entities (sucrose, cycloheximide, MSG, citric acid, and NaCl) and the gerbil gustatory-receptor-sites is conducted. These distributions AED and PSD can be considered as a characterization of taste of not only not only not only of any gustatory entity but also a characterization of the gustatory receptor systems of the peripheric nerves. The docking computation between five gustatory molecules and the gerbil GCaMP3 cavity receptor sites is performed, showing a significant resemblance in the receptor-ligand detection process. Hence, the findings from docking confirm that the calculated binding affinities fell within the range of adsorption energies.