The flavor and peculiarity of modern smoked meat products must be adjusted and controlled with the use of liquid smoke. In this study, to explore the interaction between human taste receptors and flavor components, an electronic tongue, molecular docking, and statistical methods were used to build a structure-activity relationship model of smoked flavor components based on multiple linear regression (MLR). Eighteen molecular descriptors of 44 flavor components in liquid smoke (including phenols, furans, aldehydes, alcohols, pyrazines, ketones, and esters) were collected and analyzed via systematic cluster analysis, and finally classified into five categories. The liquid smoke taste analysis indicates that bitterness contributes significantly (P < 0.01) to the flavor of liquid smoke. The data from the molecular docking of the human bitter taste receptor TA2R1 and 4-ethyl-2-methoxyphenol (EMP) reveals that the perceptual process may depend on the main flavor component of liquid smoke as a ligand, as determined by AutoDock Vina; the affinity of the highest conformation was found to be -5.2 kcal/mol, EMP was stable at the active pocket and formed hydrogen bonds with residue Arg55, and EMP formed hydrophobic interactions with the residues Leu48, Leu51, Ala96, Leu99, Gly100, and Leu277. The structure-activity relationship model of smoked flavor components based on MLR reveals a good linear relationship between the molecular descriptors and the affinities between the flavor components in liquid smoke and the human taste receptor (R² = 0.872). This model can be used to predict the affinities between smoked flavor components as ligands and the human bitter taste receptor.

现代烟熏肉制品的风味和独特性必须通过使用液态烟进行调整和控制。在这项研究中，为探讨人类味觉受体与风味成分之间的相互作用，电子舌，分子对接和统计方法被用于基于多元线性回归（MLR）建立烟熏风味成分的结构-活性关系模型。通过系统聚类分析，收集并分析了烟液中44种风味成分（包括酚，呋喃，醛，醇，吡嗪，酮和酯）的18种分子描述符，并通过系统聚类分析对其进行了分析，最终将其分为五类。液体烟味分析表明，苦味起了很大的作用（P <0.01）达到液体烟雾的味道。来自人类苦味受体TA2R1和4-乙基-2-甲氧基苯酚（EMP）分子对接的数据表明，感知过程可能取决于液烟的主要风味成分作为配体，如AutoDock Vina所确定。发现最高构象的亲和力为-5.2 kcal / mol，EMP在活性口袋处稳定，并与残基Arg55形成氢键，EMP与残基Leu48，Leu51，Ala96，Leu99，Gly100和亮277。基于MLR的烟熏味成分的构效关系模型揭示了分子描述子与烟液中的烟味成分与人类味觉受体之间的亲和力之间具有良好的线性关系（R ² = 0.872）。该模型可用于预测烟熏味成分（作为配体）与人类苦味受体之间的亲和力。