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To predict the quality marker (Q-Marker) of Shenmai granules by ultra-performance liquid chromatography-ion trap/electrostatic field Orbitrap mass spectrometry (UPLC-LTQ Orbitrap MS) and network pharmacology.
The chromatography was performed on a Shimadzu Shim-pack gist C18 column (100 mm×2.1 mm，2 μm) with acetonitrile-0.1% formic acid water as the mobile phase with gradient elution and the mass spectrometry was scanned in positive and negative ion modes. Databases such as TCMSP，Swiss Target Prediction and GeneCards were used to predict the core targets and construct the “composition-traget” network diagram to explore the Q-Marker of Shenmai granules.
A total of 71 compounds were identified，and 14 active components were screened as Q-Marker candidates for network pharmacological analysis. The results of network pharmacology indicated that ginsenoside Rf，ginsenoside Rg3，ginsenoside F2，methylophiopogonanone A，ophiopogonin C，ophiopogonin D，methylophiopogonone A，ophiopogonanone C，methylophiopogonone B，betaine，taraxerone，medicarpin and batatasin I might regulate and control protein activity and function by acting on the PI3K-Akt pathway，regulating protein phosphorylation reactions，thereby achieving the effect of Yangyin Shengjin production.
This study elucidates the chemical composition of Shenmai granules，explores the mechanism of Shenmai granules in Yangyin Shengjin and predicts the Q-Marker through network pharmacology，laying the foundation for the improvement of the pharmacological substance foundation and quality standards of Shenmai granules.
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| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
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