Cortex Moutan (CM), a well-known traditional Chinese medicine, is commonly used for treating various diseases in China and other eastern Asian countries. Recorded in Pharmacopeias of several countries, CM is now drawing increasing attention and under extensive studies in various fields. Phytochemical studies indicate that CM contains many valuable secondary metabolites, such as monoterpene glycosides and phenols. Ample evidence from pharmacological researches suggest that CM has a wide spectrum of activities, such as anti-inflammatory, anti-oxidant, anti-tumor, anti-diabetic, cardiovascular protective, neuroprotective, hepatoprotective effects. Moreover, various analytical methods were established for the quality evaluation and safety control of CM. This review synopsizes updated information concerning the origins, phytochemistry, pharmacology, analytical method and safety of CM, aiming to provide favorable references for modern CM research and application. In conclusion, continuing pharmacological investigations concerning CM should be conducted to unravel its pharmacological mechanisms. Further researches are necessary to obtain comprehensive and applicable analytical approach for quality evaluation and establish harmonized criteria of CM.

https://www.mdpi.com/1420-3049/22/6/946/pdf

Origins, Phytochemistry, Pharmacology, Analytical Methods and Safety of Cortex Moutan (Paeonia suffruticosa Andrew): A Systematic Review.

Paeonia is the single genus of ca. 33 known species in the family Paeoniaceae, found in Asia, Europe and Western North America. Up to now, more than 180 compounds have been isolated from nine species of the genus Paeonia, including terpenes, phenols, flavonoids, essential oil and tannins. Terpenes, the most abundant naturally occurring compounds, which accounted for about 57% and occurred in almost every species, are responsible for the observed in vivo and in vitro biological activities. This paper aims to give a comprehensive overview of the recent phytochemical and pharmacological knowledge of the terpenes from Paeonia plants, and enlighten further drug discovery research.

Chemical Components and Pharmacological Activities of Terpene Natural Products from the Genus Paeonia

Construction of a genetic linkage map in tree peony (Paeonia Sect. Moutan) using simple sequence repeat (SSR) markers

The Paeonia genus, an important source of crude drugs, has been extensively used in traditional Chinese medicine (TCM) to treat cardiovascular and female-related diseases. Although many peony species have been investigated, the study of Paeonia rockii is still quite limited, especially its chemical composition. Here, an advanced ultra-high-performance liquid chromatography (UHPLC) analytical technique combined with Q-Exactive Orbitrap hybrid quadrupole-Orbitrap mass spectrometry utilizing high-resolution full MS and MS/MS scan modes was applied to screen and identify the chemical constituents of this species. As a result, a total of 46 compounds were characterized, including 11 monoterpene glycosides, five phenolic acids, six tannins and 24 flavonoids. Among them, 16 compounds were reported for the first time in Paeonia rockii.

Identification of Chemical Composition of Leaves and Flowers from Paeonia rockii by UHPLC-Q-Exactive Orbitrap HRMS

The plant-based metabolomics studies are increasing rapidly to identify new active compounds, determine the vegetation period, investigate adulteration, evaluate correlation activity and metabolite levels, and monitor quality control of medicinal plants. Despite remarkable technological advances in metabolite separation and analysis, the chemical differences of primary and secondary metabolites of complex natural products present extraordinary challenges for analysis. The difficulties in plant metabolomics studies range from sample collection to preparation and continue from analysis to metabolite annotation and quantification. A comprehensive metabolomics analysis evaluation of current and new trends in plant metabolomics will guide researchers holistically in designing their research. Therefore, in this review, all necessary steps (extraction strategies, sample preparation, data acquisition and pre-processing, and metabolite annotation) to effectively complete plant metabolomics studies using different analytical platforms (nuclear magnetic resonance, gas chromatography-mass spectrometry, and liquid chromatography-high-resolution mass spectrometry) were evaluated. • Potential usage of metabolomics in medicinal plant science. • The challenges in medicinal plant metabolomics studies. • Precautions and tips from sample collection to preparation and analysis to metabolite annotation. • Comparison of GC-MS and LC-MS-based metabolomics analysis for plants. • Imaging techniques to decipher the spatial distribution of the plant metabolome. 

Metabolomics analysis insight into medicinal plant science

Introduction

The distribution of metabolites in the different root parts of Cortex Moutan (the root bark of Paeonia suffruticosa Andrews) is not well understood, therefore, scientific evidence is not available for quality assessment of Cortex Moutan.



Objective

To reveal metabolomic variations in Cortex Moutan in order to gain deeper insights to enable quality control.



Methods

Metabolomic variations in the different root parts of Cortex Moutan were characterised using high-performance liquid chromatography combined with mass spectrometry (HPLC–MS) and multivariate data analysis. The discriminating metabolites in different root parts were evaluated by the one-way analysis of variance and a fold change parameter.



Results

The metabolite profiles of Cortex Moutan were largely dominated by five primary and 41 secondary metabolites . Higher levels of malic acid, gallic acid and mudanoside-B were mainly observed in the second lateral roots, whereas dihydroxyacetophenone, benzoyloxypaeoniflorin, suffruticoside-A, kaempferol dihexoside, mudanpioside E and mudanpioside J accumulated in the first lateral and axial roots. The highest contents of paeonol, galloyloxypaeoniflorin and procyanidin B were detected in the axial roots. Accordingly, metabolite compositions of Cortex Moutan were found to vary among different root parts.



Conclusion

The axial roots have higher quality than the lateral roots in Cortex Moutan due to the accumulation of bioactive secondary metabolites associated with plant physiology. These findings provided important scientific evidence for grading Cortex Moutan on the general market. Copyright © 2014 John Wiley & Sons, Ltd.

Revealing Metabolomic Variations in Cortex Moutan from Different Root Parts using HPLC–MS method

Metabolomic analysis is an important molecular phenotyping method for understanding plant ecotypic variations. Here, we systematically characterized the metabolomic variations associated with five Chinese cultivars of tree peony (Paeonia suffruticosa Andrews) using high performance liquid chromatography-mass spectrometry (HPLC-MS) and multivariate data analysis. Our results indicated that the metabolite profile of the root bark in tree peony was largely dominated by 5 primary metabolites and 41 secondary ones including 7 phenolics, 7 flavonoids, 16 monoterpene glycosides and 11 acetophenones. The distribution of these secondary metabolites varied in the different tree peony cultivars. Some secondary metabolites, such as galloyl glucoses, procyanidins, mudanpiosides and acetophenones, will become the novel and potential chemotaxonomic markers to differentiate tree peony cultivars when the conventional classification methods are not practicable. These results demonstrated that HPLC-MS based metabolomics was an effective tool for the classification of phenotypic cultivars and provided novel and potential chemotaxonomic characteristics of tree peony.

Metabolomic analysis provides novel chemotaxonomic characteristics for phenotypic cultivars of tree peony

Forced swimming in cold water causes physiological and psychological stress that leads to altered biochemical homeostasis and neurobehavioral responses. In this study, plasma and urinary metabolites in Sprague-Dawley (SD) rats subjected to cold water forced swimming stress (CWFSS) were characterized using NMR in conjunction with multivariate data analysis. Metabolic analysis demonstrated that decreased levels of lipoprotein and increased levels of O-acetyl glycoprotein, glucose, lactate, pyruvate, creatine, citrate, succinate and amino acids including phenylalanine, tyrosine, glutamate, valine, isoleucine, alanine and lysine in plasma were observed in response to CWFSS. Moreover, the biochemical response to CWFSS as determined from NMR analysis of urine was characterized by an elevation of gut microbiota-related metabolites including phenylacetylglycine, 4-cresol glucuronide and indoxyl sulfate. These results suggest that CWFSS-induced metabolic perturbations were involved in the disruption of amino acid and energy metabolism as well as the alteration of gut microbiota function. This study will enhance the current knowledge of stress-induced diseases and aid in the early diagnosis of metabolic disorders in humans.

Cold water forced swimming stress induced metabolic alterations in rats

Weak self-interaction plays an important role in interpreting the biomechanisms and modes of drug action. The structure-dependent self-association of five phenolic acids with various bioactivities, including danshensu (DSS), caffeic acid (CA), rosmarinic acid (RA), lithospermic acid (LA), and salvianolic acid B (SA), was investigated by 1H NMR. These phenolic acids have similar condensed structures, with a CA moiety and varying numbers of DSS moieties. The strengths of the self-association constants are in the order DSS < CA < RA < LA < SA, which corresponds to the increasing molecular size of these phenolic acids and roughly corresponds to the increasing number of DSS moieties. The binding site for the self-aggregation of these phenolic acids has been identified to be on the CA moiety, rather than on the DSS moiety, as a result of CA's stronger aromatic π–π interactions, which cause larger chemical shift variations. The thermodynamic parameters for the self-association of these phenolic acids show that the self-association is spontaneous and enthalpically favorable at room temperature in all cases. It was inferred that π–π interactions and intermolecular hydrogen bonding stabilize the stacking structures of the phenolic acids. Knowledge of self-association processes will enable us to quantitatively assess the possible effects of self-aggregation on the interaction between drug and protein. Copyright © 2014 John Wiley & Sons, Ltd.

The structure‐dependent self‐association of five phenolic acids in aqueous solution

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Revealing Metabolomic Variations in Cortex Moutan from Different Root Parts using HPLC–MS method

Metabolomic analysis provides novel chemotaxonomic characteristics for phenotypic cultivars of tree peony

Cold water forced swimming stress induced metabolic alterations in rats

The structure‐dependent self‐association of five phenolic acids in aqueous solution