Scholarlink

<p>To clarify the core flavor-active compounds in strong-flavor liquor (SFL) and their interaction mechanisms with odorant receptors (ORs), this study integrated Headspace Solid-Phase Microextraction Coupled with Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS), database mining and molecular docking. Volatile compounds in SFL were identified via HS-SPME-GC-MS, and 17 core substances (e.g., ethyl caproate, ethyl octanoate) were screened using odor activity value (OAV) &gt; 1, blood-brain barrier (BBB) permeability, and ternary criteria (Log S &gt; −4, Consensus Log Po/w &lt; 5, molecular weight &lt; 300 Da). A total of 93 intersecting targets were obtained from 314 compound targets and 160 olfactory targets, with 8 core targets (EGFR, DRD2, MAOB, etc.) organized into 4 functional modules. Key pathways included neuroactive ligand-receptor interaction and cAMP signaling. Molecular docking showed 90.4% of ligand-target pairs had binding free energy &lt; −4.5 kcal/mol, with Benzenepropanoic acid, ethyl ester (M15) and MAOB having the lowest (-7.8 kcal/mol). This study provides a theoretical basis for SFL flavor regulation and olfactory perception research.</p> Graphical Abstract <p></p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Technology Synergy Deciphers the Flavor Perception Mechanism of Strong-Flavor Liquor: A Study on the Interaction of Core Active Substances, cAMP Signaling Axis, and Odorant Receptors

  • 期刊论文

  • 发表日期：

    2026年2月28日

查看全文
  • Shihui Dai,
  • Zhicheng Li,
  • Jiajie Zhu,
  • Zhongxing Gao,
  • Yaomei Tian,
  • Li Li

摘要

To clarify the core flavor-active compounds in strong-flavor liquor (SFL) and their interaction mechanisms with odorant receptors (ORs), this study integrated Headspace Solid-Phase Microextraction Coupled with Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS), database mining and molecular docking. Volatile compounds in SFL were identified via HS-SPME-GC-MS, and 17 core substances (e.g., ethyl caproate, ethyl octanoate) were screened using odor activity value (OAV) > 1, blood-brain barrier (BBB) permeability, and ternary criteria (Log S > −4, Consensus Log Po/w < 5, molecular weight < 300 Da). A total of 93 intersecting targets were obtained from 314 compound targets and 160 olfactory targets, with 8 core targets (EGFR, DRD2, MAOB, etc.) organized into 4 functional modules. Key pathways included neuroactive ligand-receptor interaction and cAMP signaling. Molecular docking showed 90.4% of ligand-target pairs had binding free energy < −4.5 kcal/mol, with Benzenepropanoic acid, ethyl ester (M15) and MAOB having the lowest (-7.8 kcal/mol). This study provides a theoretical basis for SFL flavor regulation and olfactory perception research.

Graphical Abstract