中草药2026，Vol.57Issue(16)：6273-6287,15.DOI:10.7501/j.issn.0253-2670.2026.16.006
四川生姜及其炮制品挥发性成分变化规律及与辛味受体结合特性研究
Study on variation patterns of volatile components in Sichuan-origin Zingiberis Rhizoma Recens and its processed products and their binding characteristics for pungent taste receptors
摘要
Abstract
Objective In response to the traditional belief that the medicinal properties of Shengjiang(Zingiberis Rhizoma Recens,ZRR)change after processing,this study integrated electronic bionic sensing,gas chromatography-mass spectrometry(GC-MS),and molecular dynamics simulation techniques to systematically elucidate the dynamic changes in the volatile components of Sichuan-origin ZRR and its processed products[Ganjiang(Zingiberis Rhizoma,ZR),Paojiang(Zingiberis Rhizoma Praeparatum,ZRP),Jiangtan(Zingiberis Rhizoma Carbonisatum,ZRC)].It also revealed the core molecular basis behind the pungency of ZRR and its interaction mechanism with the vanillin subtype 1 of the transient receptor potential vanilloid 1(TRPV1).Methods Electronic tongue was utilized to establish a numerical evaluation model for the tastes of ZRR and its processed products,thereby clarifying the differences in odor between different samples.GC-MS was used to analyze the changes in volatile components of ZRR and its various processed products.Autodock-1.5.7 and Pymol were applied to perform molecular docking and visual analysis of the common components in these samples in relation to the pungent taste receptor TRPV1.Additionally,molecular dynamics simulations were conducted using the Gromacs 2022 software.Results Electronic tongue testing revealed significant differences in taste scores between ginger and its various processed products.GC-MS analysis demonstrated variations in the content and quantity of volatile components between ginger and its different processed products.A total of 15 chemical compounds were common to all products of ZRR,while 14 volatile compounds were unique to ZRR,eight to ZR,one to ZRP,and five to ZRC.Most of these compounds were terpenoids.The content of monoterpenoids decreased and the content of most sesquiterpenoids increased after ZRR was processed.the components of elemol and zingiberenol were converted into(-)-cis-β-elemene and α-curcumene.Molecular docking and dynamic simulation studies showed that compounds such as elemol and zingiberenol could form stable hydrogen bond networks with amino acid residues such as LEU-1383 and ILE-1441 on the 8GFA protein,with the binding mechanism being a combination of van der Waals forces,electrostatic interactions,and hydrogen bonds.Conclusion The pungency of ZRR significantly enhanced after processing,with sesquiterpenes likely serving as the primary material basis for this effect.These compounds bind to the TRPV1 receptor via stable hydrogen-bonding networks and van der Waals forces,thereby elucidating the scientific mechanism underlying the increased pungency post-processing.关键词
生姜/干姜/炮姜/姜炭/挥发性成分/电子仿生/TRPV1/辛味/电子舌/萜类/榄香醇/姜黄烯醇/β-榄香烯/α-姜黄稀Key words
Zingiberis Rhizoma Recens/Zingiberis Rhizoma/Zingiberis Rhizoma Praeparatum/Zingiberis Rhizoma Carbonisatum/volatile components/electronic bionics/TRPV1/pungency/electronic tongue/terpenes/elemol/zingiberenol/(-)-cis-β-elemene/α-curcumene分类
医药卫生引用本文复制引用
杨秀娟,吉庆云,王佳佳,田一虹,杨志军,段国建,李硕,李越峰..四川生姜及其炮制品挥发性成分变化规律及与辛味受体结合特性研究[J].中草药,2026,57(16):6273-6287,15.基金项目
国家自然科学基金资助项目(82160755) （82160755）
国家自然科学基金资助项目(82560785) （82560785）
甘肃省科技计划资助(26CXGA025) （26CXGA025）
兰州市科技计划项目(2025-2-150) （2025-2-150）
甘肃省中药质量与标准研究重点实验室开放基金项目(ZYZL2024-01) （ZYZL2024-01）
