Major aromatic components of Chinese cigar and their mechanisms of action with T1R1 receptors

Aromatic compounds constitute the primary chemical components responsible for the distinctive flavor characteristics of cigars and play a pivotal role in cigar quality assessment. This study employed solid-phase microextraction/gas chromatography-mass spectrometry (SPME/GC-MS) and liquid-liquid extraction/gas chromatography-mass spectrometry (LLE/GC-MS) to analyze the aroma profiles of Chinese and international cigars under smoking and simulated oral environment conditions. Based on multidimensional statistical and model evaluations—including One-way analysis of variance (P ≤ 0.05), odor activity threshold (OAV ≥ 1), variable importance in projection (VIP ≥ 2), and fold change (≥ 1.5)—six key aromatic compounds were identified as significant contributors to the characteristic flavor of Chinese cigars: methylpyrazine, tabanone, 3-methylbutyric acid, limonene, 2,6-dimethylphenol, and malic acid. To elucidate the sensory perception mechanisms of these compounds, molecular dynamics simulations were conducted to investigate interactions between the human oral cavity receptor T1R1 and the identified aromatic compounds. The results revealed that 2,6-dimethylphenol, 3-methylbutyric acid, malic acid, and methylpyrazine exhibited specific binding interactions with the T1R1 receptor. These molecular interactions are hypothesized to facilitate receptor-mediated perception of the compounds in the oral environment, thereby contributing to the overall sensory experience of Chinese cigar.