ABSTRACT
@#Fufang Shechuangzi Xiji (Lotion) is a common hospital preparation made from clinical prescriptions. Its clinical efficacy is accurate, yet its pharmacodynamic material basis has not been clarified.An ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS) technique was developed to identify the chemical constituents of Fufang Shechuangzi Xiji (Lotion).The chemical constituents of Fufang Shechuangzi Xiji (Lotion) were scanned by electrospray ionization (ESI) source in positive and negative ion modes.As a result, a total of 118 compounds were identified and characterized via reference standards and by comparing mass spectrometry data with literature, including 45 alkaloids, 21 coumarins and chromones, 19 flavonoids, 14 saponins, 10 anthraquinones and 9 organic acids.As a result, UPLC-QTOF-MS/MS technology can quickly and sensitively identify the chemical constituents of Fufang Shechuangzi Xiji (Lotion), which provides a useful reference for exploring the pharmacodynamic material basis and further quality control study of the preparation.
ABSTRACT
Objective: To systematically study the main chemical components of Fufang Shangtong Capsule and explore the main mechanism of its effect, and provide some reference for the research of its pharmacodynamic substance. Methods: In this study, UHPLC-Q-Orbitrap HRMS was used to comprehensively analyze the main chemical components of Fufang Shangtong Capsule. The chromatographic column was Waters Acquity UPLC® BEH C18 chromatographic column (50 mm ×2.1 mm, 1.7 μm) and the mobile phase was acetonitrile (A)-0.1% formic acid water (B). According to the MS/MS spectrometry information of compounds, and the comparison with standards or references, the chemical information of drugs can be quickly and accurately identified. On this basis, the network pharmacology method was used to analyze the chemical composition target of the drug, enrich its function, preliminarily select the main effective substances of the drug, and simultaneously explore its mechanism of action. Results: A total of 36 chemicals were identified in this study from Fufang Shangtong Capsule. The target function of enrichment analysis showed that the drug mainly played its therapeutic effect on regulating vascular endothelial, vascular smooth muscle pain, affecting platelet function, promoting energy supply, reducing inflammation and relieving pain, so as to exert its efficacy in promoting blood circulation and removing stasis, invigorating qi and relieving pain. Conclusion: In this study, UHPLC-Q-Orbitrap HRMS combined with network pharmacology was used, wich provided scientific theoretical basis and important reference for the identification of effective ingredients, screening of quality markers and the study of potential mechanism of action of Fufang Shangtong Capsule.
ABSTRACT
Realgar is a mineral traditional medicine with definite efficacy. The function of realgar is detoxicating, insecticiding, eliminating dampness and phlegm, etc. It is widely applied in clinical practice by compatibility medicines. However, the safety and scientificalness of clinical application are questioned because of the toxic effect caused by arsenic compounds. At present, there are still many problems in the research of realgar, which are mainly manifested in three areas: the expression of main components and effective substances are inconsistent; the anti-tumor mechanism is difficult to explain at the molecular level; the mechanism of compatibility is not clear. As a result, realgar and realgar-containing Chinese patent medicines are frequently prohibited from entering the international market, and the reputation of traditional Chinese medicine is also damaged. This paper would analyze the research status of realgar at home and abroad as well as its problems from its main components, effective substances, anti-tumor mechanism and compatibility mechanism. In view of these difficulties, quantum chemical calculation method is proposed to solve them, so as to make up for the shortcomings and limitations of experimental technology and experimental conditions, reduce the cost of realgar research and improve research efficiency. Moreover, it provides inspiration for research of other mineral medicine.
Subject(s)
Arsenicals , Pharmacology , Medicine, Chinese Traditional , Minerals , Sulfides , PharmacologyABSTRACT
Serum pharmacochemistry of traditional Chinese medicine(TCM) is an effective method to rapidly screen the effective substances and reveal the compatibility law of compound by identification and analysis of constituents migrating to blood after oral administration. In the last two decades, it has been universally accepted and widely applied in the field. With the cross-fusion with other disciplines, such as serum pharmacology, pharmacokinetics, metabolomics, network pharmacology and systems biology, serum pharmacochemistry shows comprehensive superiority in explaining drug changes in vivo and in vitro, interactions between drugs, interactions between drug and body, which coincides with the complexity of TCM compatibility, multi-components, multi-targets and multi-mechanisms. Based on the references related with the serum pharmacochemistry from CNKI scholar and Pubmed in 2013-2016, the research results of serum pharmacochemistry were statistically analyzed, and the key technical problems during the study of serum pharmacochemistry, for example, preparation of test sample, selection of experimental animal, determination of drug delivery scheme, method and time of the adoption blood, preparation and pretreatment of blood sample, as well as analysis of constituents migrating to blood, and the solving ways were empirically introduced. In addition, the development and comprehensive application of serum pharmacochemistry in TCM were summarized in this paper, hoping to lay a foundation for the further application of this method in TCM research.
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Objective: To investigate the plasma effective constituents of Beagle dogs after oral administration with the extract of Polygonum multiflorum thunb. Methods: Based on the established HPLC fingerprints, comparison was carried out among the blank plasma, plasma containing drug, Polygonum multiflorum thunb. Simultaneously, the retention time and UV spectrogram were utilized as index to evaluate the relation among the fingerprint peaks so as to confirm the original of peaks. Result: Fourteen components were detected after oral administration. Four of them were the original components existed in Polygonum multiflorum thunb and ten of them were metabolites. Conclusion: Studying on the constituents and metabolites in plasma is useful to research the effective substances of Chinese medicine of Polygonum multiflorum thunb in vivo.
ABSTRACT
Chinese material medica is the natural therapeutic agent used under the guidance of the theories of traditional Chinese medicine.Its sources are mainly derived from plants,some derived from animals and minerals,and a few derived from chemical drugs and biologic products.It was made up into a colossal complex system because of its diversity of biological sources,ecological environments, chemical constituent structures,processing methods,processes of metabolism-disposition and their products in intra-body,biological activity and clinical use,and involved a lot of scientific problems.The elucidation of the toxic-invited constituents and toxic-effective substances is one of basic and scientific problem to clarify complex system of Chinese material medica.Along with the research progress of processes of metabolism and disposition of Chinese material medica in intra-body and metabonomics,a new and rapid-developing technology,the discovery strategy for toxic-invited constituents and toxic-effective substances on Chinese material medica based on the processes of metabolism and disposition would be made up,which will provide a new methodology and pathway to clarify of complex system of Chinese material medica.