Analysis of the Material Basis and Efficacy of the Differences in the Preparation of Pinellia Ternate before and after Concoc-tion Based on UPLC-Q-TOF-MS/MS and Network Pharmacology

Kunqun SHI; Yue XIONG; Xiang QIAN; Yufeng ZHU; Yi YAO; Qian ZHANG; Shijia LIU

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Analysis of the Material Basis and Efficacy of the Differences in the Preparation of Pinellia Ternate before and after Concoc-tion Based on UPLC-Q-TOF-MS/MS and Network Pharmacology

VernacularTitle:基于UPLC-Q-TOF-MS/MS和网络药理学的半夏炮制前后差异性物质基础及功效分析
Author: Kunqun SHI ^{1
,

2} ; Yue XIONG ; Xiang QIAN ; Yufeng ZHU ; Yi YAO ; Qian ZHANG ; Shijia LIU
Author Information

1. 南京中医药大学附属医院/江苏省中医院药学部,江苏南京 210029
2. 南京中医药大学第一临床医学院,江苏南京 210023
Keywords: Pinellia ternate; processed products; differential substance basis; multivariate statistical analysis; network pharmacol-ogy
From: Journal of Nanjing University of Traditional Chinese Medicine 2024;40(2):153-166
CountryChina
Language:Chinese
Abstract: OBJECTIVE To screen and identify the differential substance bases of Pinellia ternate and its different concoctions,conduct network pharmacological analysis on the common and differential substance bases,and explore the relationship between the substance bases and the changes in the efficacy of Pinellia ternate before and after concoction based on the UPLC-Q-TOF-MS/MS and multivariate statistical analysis.METHODS The main substance bases of 42 batches of samples were examined by UPLC-Q-TOF-MS/MS,and the differential components were screened by orthogonal partial least squares discriminant analysis(OPLS-DA)with VIP>1.5,P<0.01 and FC>2 or<0.5 as the screening criteria.The targets were further retrieved from the TCMIP database,and their protein interactions were analysed by GO enrichment and KEGG enrichment to visualise the"herbal-component-target-pathway"map.RESULTS Compared with Pinellia ternate,Pinelliae Rhizoma Praeparatum has 14 different components,mainly glycyrrhetinic acid,glycyrrhizic acid and glycyrrhizin,etc.The components with reduced content were mainly amides.There were 18 differential constituents between raw and ginger,mainly nucleosides,flavonoids and amino acids.The content of guanosine,xanthine and tyrosine was reduced,while the content of adenosine monophosphate was increased.There were 18 differential components between raw and Pinelliae Rhizoma Praeparatum Cum Alumine,and the relative content of many components in Pinelliae Rhizoma Praeparatum Cum Alu-mine was reduced,such as sphingomyelin.Further,the TCMIP database was used to retrieve targets from the differential substance base,and protein interaction analysis was performed on the targets,resulting in 67 core targets for Pinellia ternate,45 core targets for Pinelliae Rhizoma Praeparatum,and 38 core targets for Pinelliae Rhizoma Praeparatum cum Zingibere Et Alumine.Finally,the meta-bolic pathways were analyzed by GO enrichment and KEGG enrichment.CONCLUSION The UPLC-Q-TOF-MS/MS method estab-lished in this experiment can better isolate and identify the chemical components in Pinellia ternate.Combined with multivariate statisti-cal analysis and network pharmacology,the material basis and potential mechanism of action of Pinellia ternate and its concoction prod-ucts can provide ideas for the study of the action targets and provide data support for the rational clinical application of Pinellia ternate and its concoction products.