Hyphenated chromatography detection and compound-target-disease investigation on herb-pair Chuanxiong Rhizoma - Xiangfu Rhizoma

Zhang²,

Zhang³

et al. 2022

Front. Pharmacol.

Cyperi Rhizoma (CR) is the dry rhizome of Cyperus rotundus L., a Cyperaceae plant. It has a long history of clinical medication and is known as the “holy medicine” of gynecology. CR smells sweet and bitter. It has the effect of soothing the liver and relieving depression, regulating qi, regulating meridian and relieving pain. It can be used to treat liver qi stagnation, chest pain, spleen and stomach qi stagnation, hernia pain, irregular menstruation and other diseases. At present, the main chemical constituents isolated from CR are volatile oil, flavonoids and terpenes. Modern pharmacological studies have shown that CR has a wide range of pharmacological activities, including antidepressant, hypoglycemic, antioxidant, anti-inflammatory, antipyretic and analgesic effects. In this paper, the botany, traditional application, phytochemistry, pharmacological effects, processing and other aspects of CR are reviewed. At the same time, the shortcomings of current research of CR are discussed in depth, and the possible solutions are put forward in order to find a breakthrough point for future research of CR.

Section: Analytical Methods and Quality Controlmentioning

confidence: 99%

Systematic review of ethnomedicine, phytochemistry, and pharmacology of Cyperi Rhizoma

Zhang²,

Zhang³

et al. 2022

Front. Pharmacol.

“…The selected compounds of FC, prototypes, and phase I metabolites identified from rat serum and heart, were prepared as follows to collect the targets. First of all, the potential targets of compounds were predicted using PharmMapper (http://www.lilab-ecust.cn/pharmmapper/) and Swiss Target Prediction (http://www.swisstargetprediction.ch/) [22,23]. Then, the HF-related targets were collected from a public database (Online Mendelian Inheritance in Man (https://omim.org/), Therapeutic Target Database (http:// db.idrblab.net/ttd/), etc.…”

Section: Establishing the Network Pharmacology Studymentioning

confidence: 99%

Investigate the metabolic profile and potential active compounds of Fructus Corni in the treatment of heart failure by applying ultra‐performance liquid chromatography with quadrupole time‐of‐flight mass spectrometry and network pharmacology

J of Separation Science

Chen

et al. 2022

Fructus Corni has been reported to contain a wide variety of pharmacological effects and previous studies had revealed that Fructus Corni might protect the cardiac indices. However, the all-encompassing metabolic profile of Fructus Corni has not been well illuminated. In this research, high-sensitivity ultra-performance liquid chromatography with quadrupole time-of-flight mass spectrometry method was adopted to identify the metabolic profile after oral administration of Fructus Corni extract, especially the metabolic characterization of serum and heart, for which the targets and signaling pathways about heart failure were hunted through compound-target-disease-pathway intersection network. Ultimately, 37 ingredients were identified in Fructus Corni extract, and 22 prototypes and 134 metabolites that were identified in serum, heart, feces, and urine were tentatively characterized, which contained iridoids, flavonoids, tannins, organic acids, and others. Additionally, 10 putative key compounds including four prototypes and six phase I metabolites were screened by network pharmacology and molecular docking, among which, secoxyloganin (P7), loganin (P14), cornuside III (P17) and cornuside (P20) were the absorbed compounds to represent the potential active ingredients of Fructus Corni engaged in heart failure condition. In general, this method provided the combined strategy to preliminarily settle the complex of Fructus Corni's metabolic profiling and anti-heart failure pharmacologic activities.

“…The compounds (prototypes and phase Ⅰ metabolites) of ZGC identified from serum, heart, liver, and kidneys were imported into PharmMapper (Z′-score ≥ 1.5, http://www.lilab-ecust.cn/ pharmmapper/) (Zhou et al, 2019) and Swiss Target Prediction (top 15, http://www.swisstargetprediction.ch/) (Daina et al, 2019) to predict the targets, respectively. Then, the corresponding target and uniport ID were obtained through Uniprot database (http://www.uniprot.org/).…”

Section: Prediction Of Compounds and Targets Of Detoxification In Zgcmentioning

confidence: 99%

Explore the Potential Ingredients for Detoxification of Honey-Fired Licorice (ZGC) Based on the Metabolic Profile by UPLC-Q-TOF-MS

Yu²,

He³

et al. 2022

Front. Chem.

Licorice is well known for its ability to reduce the toxicity of the whole prescription in traditional Chinese medicine theory. However, honey-fired licorice (ZGC for short), which is made of licorice after being stir-fried with honey water, is more commonly used for clinical practice. The metabolism in vivo and detoxification-related compounds of ZGC have not been fully elucidated. In this work, the chemical constituents in ZGC and its metabolic profile in rats were both identified by high ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). The network pharmacology was applied to predict the potential detoxifying ingredients of ZGC. As a result, a total of 115 chemical compounds were identified or tentatively characterized in ZGC aqueous extract, and 232 xenobiotics (70 prototypes and 162 metabolites) were identified in serum, heart, liver, kidneys, feces, and urine. Furthermore, 41 compounds absorbed in serum, heart, liver, and kidneys were employed for exploring the detoxification of ZGC by network pharmacology. Ultimately, 13 compounds (five prototypes including P5, P24, P30, P41 and P44, and 8 phase Ⅰ metabolites including M23, M47, M53, M93, M100, M106, M118, and M134) and nine targets were anticipated to be potential mediums regulating detoxification actions. The network pharmacology analysis had shown that the ZGC could detoxify mainly through regulating the related targets of cytochrome P450 and glutathione. In summary, this study would help reveal potential active ingredients in vivo for detoxification of ZGC and provided practical evidence for explaining the theory of traditional Chinese medicine with modern technology.