Integrated Serum Pharmacochemistry and Network Pharmacology Approach to Explore the Effective Components and Potential Mechanisms of Menispermi Rhizoma Against Myocardial Ischemia

Wei, Jinxia; Yu, Yanting; Zhang, Yue; Li, Lingzhi; Li, Xia; Shao, Jia; Li, Yubo

doi:10.3389/fchem.2022.869972

Cited by 15 publications

(13 citation statements)

References 39 publications

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“…The animals in two groups were placed in metabolic cages on the third day, and urine and faeces samples were collected for 24 h. The rats were fasted for 12 h but drank water freely prior to collecting blood samples. After the final dose, approximately 0.5 ml blood samples (time points of 0.25, 0.75, 1, 3, 5, 7, 8, 10, 12 and 24 h) were collected from the orbital venous plexus into centrifuge tubes pre‐coated with heparin sodium 20 . After centrifugation (14,000 rpm, 10 min), the supernatant was separated to obtain plasma.…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

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Rapid identification of chemical components in vitro and in vivo of Menispermi Rhizoma by integrating UPLC‐Q‐TOF‐MS with data post‐processing strategy

Wei

Wang

Zhang

et al. 2023

Phytochemical Analysis

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Introduction: Menispermi Rhizoma (MR), the dried rhizome of Menispermum dauricum DC. (Menispermaceae), has been used to treat sore throat, enteritis, dysentery, and rheumatic arthralgia. Despite extensive research on its pharmacological effects, the chemical components in vitro and in vivo have not been thoroughly studied.Objective: To establish an efficient method for rapid classification and identification of alkaloids in MR and its preparations, as well as metabolites in vivo after oral administration of MR.Methods: Rapid identification of alkaloids and absorbed components of MR was performed using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) coupled with UNIFI software. Moreover, the characteristic fragmentations and neutral losses of different types of alkaloids in MR were summarised to realise the rapid classification of alkaloids.Results: A total of 55 components were unambiguously or tentatively identified in MR. Among them, 37 and 31 components were found in MR capsules and tablets, respectively. Meanwhile, 109 compounds were tentatively identified in rat plasma, urine and faeces, including 55 prototypes and 54 metabolites. Hydrogenation, hydroxylation, methylation, glucuronic acid and sulphate conjugations were the dominating metabolic fates of alkaloids. Conclusion:The data post-processing strategy established could greatly enhance the structural identification efficiency. The results obtained might lay the foundation for further interpretation of clinical effects, mechanism of action and quality control of MR.

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Section: Experimental Materials and Methodsmentioning

confidence: 99%

“…After the final dose, approximately 0.5 ml blood samples (time points of 0.25, 0.75, 1, 3, 5, 7, 8, 10, 12 and 24 h) were collected from the orbital venous plexus into centrifuge tubes pre-coated with heparin sodium. 20 After centrifugation (14,000 rpm, 10 min), the supernatant was separated to obtain plasma.…”

Section: Animal Treatmentmentioning

confidence: 99%

Rapid identification of chemical components in vitro and in vivo of Menispermi Rhizoma by integrating UPLC‐Q‐TOF‐MS with data post‐processing strategy

Wei

Wang

Zhang

et al. 2023

Phytochemical Analysis

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“…Compared with traditional screening methods, including chemical composition isolation and activity tracking [52], serum pharmacochemistry and network pharmacology [53], spectrum-effect relationship analysis and molecular docking [54], ligand fishing technology [55] could directly and accurately fishing out the active ingredients from complex natural products, simplifying the experimental steps and consuming less sample volume, further highlighting the specificity and efficiency of the technology.…”

Section: Ligand Fishing Assay For Selaginella Doederleinii Ethyl Acet...mentioning

confidence: 99%

Lactate Dehydrogenase-Inhibitors Isolated from Ethyl Acetate Extract of Selaginella doederleinii by Using a Rapid Screening Method with Enzyme-Immobilized Magnetic Nanoparticles

Zhang¹,

Li²,

Liu³

et al. 2022

Front. Biosci. (Landmark Ed)

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Background: Lactate dehydrogenase (LDH) is one of the important enzyme systems for glycolysis and gluconeogenesis. It can catalyze the reduction and oxidation reaction between propionic acid and L-lactic acid, which is usually overexpressed in cancer cells. Therefore, inhibiting the activity of LDH is a promising way for the treatment of cancer. In this study, an effective method based on ligand fishing and ultra performance liquid chromatography-mass spectrum (UPLC-MS) was established to screen and identify active ingredients from Selaginella doederleinii with potential inhibitory activity for LDH. Methods: Firstly, LDH was immobilized on the magnetic nanoparticles (MNPs), three immobilization parameters including LDH concentration, immobilization time and pH were optimized by single factor and response surface methodology for maximum (max) immobilization yield. Then, a mixed model of galloflavin and chlorogenic acid (inhibitors and non-inhibitors of LDH) was used to verify the specificity of immobilized LDH ligand fishing, and the conditions of ligand fishing were further optimized. Finally, combined with UPLC-MS, immobilized LDH was used to simultaneously screen and identify potential LDH inhibitors from the ethyl acetate extract of Selaginella doederleinii. Results: The prepared fishing material was comprehensively characterized by scanning electron microscopy (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD) and fourier transform infrared spectrometer (FT-IR). The optimal immobilization conditions were obtained as LDH concentration of 0.7 mg/mL, pH value of 4.5, and immobilization time of 3.5 h. Under these conditions, the max immobilization yield was (3.79 ± 0.08) × 10 3 U/g. The specificity analysis showed that immobilized LDH could recognize and capture ligands, and the optimal ligand fishing conditions included that the incubation time was 30 min, the elution time was 20 min, and the concentration of methanol as eluent was 80%. Finally, two LDH inhibitors, amentoflavone and robustaflavone, were screened by immobilized LDH from the ethyl acetate extract of Selaginella doederleinii. Conclusions: The study provided a meaningful evidence for discovering the bioactive constituents in ethyl acetate extract of Selaginella doederleinii related to cancer treatment, and this ligand fishing method was feasible for screening enzyme inhibitors from similar complex mixtures.

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“…17 Network pharmacology is a prediction platform for constructing TCM component-disease-target networks based on big data, allowing investigators to comprehensively evaluate TCM effectiveness and mechanisms. 18 Herein, a strategy (Fig. 1) is proposed to identify possible MSC Q-markers by integrating ngerprint, serum pharmacochemistry and network pharmacology.…”

mentioning

confidence: 99%

“…17 Network pharmacology is a prediction platform for constructing TCM component–disease–target networks based on big data, allowing investigators to comprehensively evaluate TCM effectiveness and mechanisms. 18…”

mentioning

confidence: 99%

Quality control for a traditional Chinese medicine, Millettia speciosa Champ, using ultra-high-performance liquid chromatography fingerprint, serum pharmacochemistry and network pharmacology

Nong,

Zhang,

Guo

et al. 2023

Anal. Methods

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Integrated Serum Pharmacochemistry and Network Pharmacology Approach to Explore the Effective Components and Potential Mechanisms of Menispermi Rhizoma Against Myocardial Ischemia

Cited by 15 publications

References 39 publications

Rapid identification of chemical components in vitro and in vivo of Menispermi Rhizoma by integrating UPLC‐Q‐TOF‐MS with data post‐processing strategy

Rapid identification of chemical components in vitro and in vivo of Menispermi Rhizoma by integrating UPLC‐Q‐TOF‐MS with data post‐processing strategy

Lactate Dehydrogenase-Inhibitors Isolated from Ethyl Acetate Extract of Selaginella doederleinii by Using a Rapid Screening Method with Enzyme-Immobilized Magnetic Nanoparticles

Quality control for a traditional Chinese medicine, Millettia speciosa Champ, using ultra-high-performance liquid chromatography fingerprint, serum pharmacochemistry and network pharmacology

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