Network pharmacology and fingerprint for the integrated analysis of mechanism, identification and prediction in Panax notoginseng

Abstract

IntroductionPanax notoginseng (Burkill) F. H. Chen ex C. H. Chow, is a well‐known herb with multitudinous efficacy. In this study, a series of overall analyses on the action mechanism, component content, origin identification, and content prediction of P. notoginseng are conducted.ObjectivesThe purpose was to analyse the mechanism of pharmacological efficacy, differences between contents and groups of P. notoginseng from different origins, and to identify the origin and predict the content.Materials and methodsThe P. notoginseng samples from four different origins were used for analysis by the database, network pharmacology (Q‐marker) and fingerprint analysis [high‐performance liquid chromatography (HPLC), attenuated total reflectance Fourier‐transform infrared (ATR‐FTIR) and near‐infrared (NIR)] combined with data fusion strategy (low‐ and feature‐level).ResultsFour saponins were identified as Q‐markers, and exerted pharmacological effects on signalling pathways through 24 core targets. The qualitative and quantitative analysis of HPLC showed that there were differences among groups and different origins. Therefore, considering the need to treat diseases, combined with network database and network pharmacology, the suitable producing areas were determined through the mechanism of action and the required saponin content. The low‐level data fusion successfully identified the origin and predicted the content of P. notoginseng from different origins. The accuracy rate of each evaluation index of the partial least squares discriminant analysis (PLS‐DA) model was 1, and the t‐SNE (t‐distributed stochastic neighbor embedding) visualisation results were good. The coefficient of determination (R2) of the partial least squares regression (PLSR) model ranged from 0.9235–0.9996, and the root mean square error of cross‐validation (RMSECV) and root mean square error of prediction (RMSEP) range is 0.301–1.519.ConclusionThis study was designed to provide a sufficient theoretical basis for the quality control of P. notoginseng.

Quality markers of Polygala fallax Hemsl decoction based on qualitative and quantitative analysis combined with network pharmacology and chemometric analysis

“…9,10 There have been many reports on the study of TCM by fingerprint analysis, such as the commonly used Chinese medicine honeysuckle, notoginseng, and psoralen. [11][12][13][14] Wang et al 15 evaluated the quality of different batches of Shuanghuanglian oral liquid (SHL) samples and 15 batches of intermediates by fusion high performance liquid chromatography (HPLC) fingerprinting at different wavelengths.…”

“…Traditional Chinese Medicine (TCM) fingerprinting is a comprehensive and quantifiable identification method mainly used to evaluate the authenticity, quality and stability of TCM, and semi‐finished products based on the systematic study of TCM chemical components 9,10 . There have been many reports on the study of TCM by fingerprint analysis, such as the commonly used Chinese medicine honeysuckle, notoginseng, and psoralen 11–14 . Wang et al 15 evaluated the quality of different batches of Shuanghuanglian oral liquid (SHL) samples and 15 batches of intermediates by fusion high performance liquid chromatography (HPLC) fingerprinting at different wavelengths.…”