Abstract

Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using 1H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by 1H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property.

Highlights

  • Traditional Chinese Medicine (TCM) has been used to treat and prevent diseases for thousands of years based on a unique theoretical framework [1]. e generalized medicinal property in TCM mainly includes four properties, five flavors, channel tropism, and major function

  • The score plot from principal component analysis (PCA) based on the 1H-NMR spectral dataset of all the herb samples exhibited noticeable intermingling of the black dots representing cold or cool medicinal property and those gray ones representing hot or warm medicinal property (Figure 3)

  • Discussion e result of 1H-NMR spectra indicated that the TCM herbs with different medicinal properties have obvious difference in chemical compositions, and 1H-NMR spectroscopic assay may provide an effective way for illustrating and exploring such a variation

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Summary

Introduction

Traditional Chinese Medicine (TCM) has been used to treat and prevent diseases for thousands of years based on a unique theoretical framework [1]. e generalized medicinal property in TCM mainly includes four properties, five flavors, channel tropism, and major function. E generalized medicinal property in TCM mainly includes four properties, five flavors, channel tropism, and major function. Erefore, therapeutic effects mainly depend on medicinal property, as well as the processes they regulate to recover the balance between Yin and Yang [7]. It has become one of the vital TCM treatment principles to cure cold syndrome by medication with hot nature and cure hot syndrome by medication with cold nature, respectively [4, 8]. Valid medicinal property discriminant is of great significance for prescribing formulary and clinical application of Chinese materia medica

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