Unraveling the characteristic aroma compounds in Longjing tea and their interaction mechanisms with S-curve and broad-spectrum olfactory receptors using molecular docking

IF 4.8 1区农林科学 Q1 FOOD SCIENCE & TECHNOLOGY

Food Bioscience Pub Date : 2024-05-27 DOI:10.1016/j.fbio.2024.104423

ZuoBing Xiao, TianYin Shen, YunWei Niu, QinFei Ke, ZhenChun Sun, EnQing Yang, XiaoJie Liu, Jing Zhang, JianCai Zhu

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Abstract

The aroma of tea is one of the main sensory characteristics reflecting the quality of tea. The interactions between tea compounds were analyzed based on a S-curve method and molecular docking technology. This research examined the tea aroma intensity value before and after combination, the molecular docking energy through the predicted strength relationship, and the change of molecular docking energy and binding site to study compound interactions in the tea. The experiment showed that, according to the results of the determination of the sensory threshold value, the establishment of S-curve and the simulation calculation of molecular docking, the results of molecular docking and S-curve of the 10 characteristic compounds in tea selected in the present work reached the same conclusion. The results showed that studying the interaction of tea compounds based on molecular docking technology was simple, intuitive and reliable, which provided a theoretical basis and technical guidance for the study of the coordination action between compounds.

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利用分子对接揭示龙井茶中的特征香气化合物及其与 S-曲线和广谱嗅觉受体的相互作用机制

茶香是反映茶叶品质的主要感官特征之一。本研究基于 S 曲线法和分子对接技术分析了茶叶化合物之间的相互作用。该研究考察了结合前后的茶叶香气强度值，通过预测强度关系得出分子对接能量，并通过分子对接能量和结合位点的变化来研究茶叶中的化合物相互作用。实验结果表明，根据感官阈值的测定结果、S 曲线的建立结果和分子对接的模拟计算结果，本研究选取的 10 种茶叶中特征化合物的分子对接结果和 S 曲线得出了相同的结论。结果表明，基于分子对接技术研究茶叶化合物的相互作用简单、直观、可靠，为研究化合物之间的配位作用提供了理论依据和技术指导。

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来源期刊

Food Bioscience Biochemistry, Genetics and Molecular Biology-Biochemistry

CiteScore

6.40

自引率

5.80%

发文量

671

审稿时长

27 days

期刊介绍： Food Bioscience is a peer-reviewed journal that aims to provide a forum for recent developments in the field of bio-related food research. The journal focuses on both fundamental and applied research worldwide, with special attention to ethnic and cultural aspects of food bioresearch.