A Comprehensive Quality Evaluation for Gentiana rigescens Franch. by Fingerprinting Combined with Chemometrics and Network Pharmacology

化学计量学 化学 偏最小二乘回归 色谱法 机器学习 计算机科学
作者
Chaoping Li,Xinyan Zhu,Tao Shen,Yuanzhong Wang,Rongping Zhang
出处
期刊:Chemistry & Biodiversity [Wiley]
标识
DOI:10.1002/cbdv.202401228
摘要

Gentiana rigescens Franch. (G. rigescens) is a unique traditional medicinal herb from southwestern China, and its clinical mechanism for the treatment of hepatitis and the quality differences between different origins are not clear. The research aims to analyze the mechanisms for the treatment of hepatitis and differences in inter‐origin differences using analytical techniques, chemometrics, and network pharmacology. Through infrared spectroscopy, spectral images, and high‐performance liquid chromatography (HPLC) analysis, it was found that there were differences in absorbance intensity and significant differences in compound content among the samples’origin. G. rigescens iridoids and flavonoids exert therapeutic effects on hepatitis through multiple targets and multiple pathways. The above HPLC, chemometrics, and network pharmacology results revealed that gentiopicroside, and swertiamarine was the best quality marker among origins. The ResNet model could be utilized as an effective tool for tracing G. rigescens’s origins. The PLSR model had excellent predictive performance in determining the content of gentiopicroside and swertiamarine, and could quickly, accurately, and effectively predict these two compounds. The research investigates the differences in G. rigescens origins from multiple perspectives, establishes image recognition models and prediction models, and provides new methods and theoretical basis for quality control of G. rigescens.
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