目的:明确山西陈醋中的小分子肽类化学成分,并进一步探讨其针对心血管等疾病的潜在作用机制。方法:采用超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS)技术结合GNPS分子网络技术分析山西陈醋中的小分子肽类成分。运用Genecards...目的:明确山西陈醋中的小分子肽类化学成分,并进一步探讨其针对心血管等疾病的潜在作用机制。方法:采用超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS)技术结合GNPS分子网络技术分析山西陈醋中的小分子肽类成分。运用Genecards、Drugbank 5.0、DAVID等数据库对小分子肽类化合物靶点及通路进行分析,并通过Cytoscape软件构建“成分-靶点-信号通路-疾病”网络。使用Autodock Dock 1.5.6和PyMol 2.5.5进行山西陈醋核心靶点与关键成分的分子对接。结果:共鉴定出41个小分子肽类化合物,其中包括27个环二肽、10个直链二肽和4个三肽类化合物。其发挥心血管和肥胖等保健作用的“成分-靶点-信号通路-疾病”网络包含14个活性成分和109个药物靶点。通路富集分析得到59条信号通路。分子对接结果表明Cyclo(Leu-Pro)、Val-Val、Pro-Phe、Cyclo(His-Pro)等成分可能与核心靶点F2、MAPK1,MMP9、VCAM1等具有较好的结合能力,初步验证了网络药理学预测结果的准确性。结论:山西陈醋可能通过多成分、多靶点、多通路协同发挥预防调节心血管疾病和肥胖等疾病的保健作用。展开更多
Free amino acid(FAA)is the important component of vinegar that infl uences quality perception and consumer acceptance.FAA is one of the major metabolites produced by microorganisms;however,the microbial metabolic netw...Free amino acid(FAA)is the important component of vinegar that infl uences quality perception and consumer acceptance.FAA is one of the major metabolites produced by microorganisms;however,the microbial metabolic network on FAA biosynthesis remains unclear.Through metagenomic analysis,this work aimed to elucidate the roles of microbes in FAA biosynthesis during Monascus rice vinegar fermentation.Taxonomic profiles from functional analyses showed 14 dominant genera with high contributions to the metabolism pathways.The metabolic network for FAA biosynthesis was then constructed,and the microbial distribution in different metabolic pathways was illuminated.The results revealed that 5 functional genera were closely involved in FAA biosynthesis.This study illuminated the metabolic roles of microorganisms in FAA biosynthesis and provided crucial insights into the functional attributes of microbiota in vinegar fermentation.展开更多
文摘目的:明确山西陈醋中的小分子肽类化学成分,并进一步探讨其针对心血管等疾病的潜在作用机制。方法:采用超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS)技术结合GNPS分子网络技术分析山西陈醋中的小分子肽类成分。运用Genecards、Drugbank 5.0、DAVID等数据库对小分子肽类化合物靶点及通路进行分析,并通过Cytoscape软件构建“成分-靶点-信号通路-疾病”网络。使用Autodock Dock 1.5.6和PyMol 2.5.5进行山西陈醋核心靶点与关键成分的分子对接。结果:共鉴定出41个小分子肽类化合物,其中包括27个环二肽、10个直链二肽和4个三肽类化合物。其发挥心血管和肥胖等保健作用的“成分-靶点-信号通路-疾病”网络包含14个活性成分和109个药物靶点。通路富集分析得到59条信号通路。分子对接结果表明Cyclo(Leu-Pro)、Val-Val、Pro-Phe、Cyclo(His-Pro)等成分可能与核心靶点F2、MAPK1,MMP9、VCAM1等具有较好的结合能力,初步验证了网络药理学预测结果的准确性。结论:山西陈醋可能通过多成分、多靶点、多通路协同发挥预防调节心血管疾病和肥胖等疾病的保健作用。
基金The authors are grateful for the financial support from National Natural Science Foundation of China(32001728).
文摘Free amino acid(FAA)is the important component of vinegar that infl uences quality perception and consumer acceptance.FAA is one of the major metabolites produced by microorganisms;however,the microbial metabolic network on FAA biosynthesis remains unclear.Through metagenomic analysis,this work aimed to elucidate the roles of microbes in FAA biosynthesis during Monascus rice vinegar fermentation.Taxonomic profiles from functional analyses showed 14 dominant genera with high contributions to the metabolism pathways.The metabolic network for FAA biosynthesis was then constructed,and the microbial distribution in different metabolic pathways was illuminated.The results revealed that 5 functional genera were closely involved in FAA biosynthesis.This study illuminated the metabolic roles of microorganisms in FAA biosynthesis and provided crucial insights into the functional attributes of microbiota in vinegar fermentation.