Chemical profile and potential mechanisms of Huo-Tan-Chu-Shi decoction in the treatment of coronary heart disease by UHPLC-Q/TOF-MS in combination with network pharmacology analysis and experimental verification

He, Liangliang; Jiang, Hongbin; Lan, Tsuo Hung; Qiu, Yuan; Yang, Kefeng; Chen, Ke-ji; Yao, Xin‐Sheng; Yao, Zhihong; Lu, Weihui

doi:10.1016/j.jchromb.2021.122729

Cited by 16 publications

(10 citation statements)

References 42 publications

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“…The complexity of the herbal components that comprise XFBD complicate investigations into its active chemical components and their associated mechanisms of action. UPLC-Q/TOF-MS has the characteristics of high separation efficiency, fast scanning speed, high resolution, and high sensitivity and can rapidly characterize compounds in herbal medicines with accurate molecular mass and MS n multi-level mass spectrometry information ( Chang et al, 2021 ; He et al, 2021 ). In this study, 113 chemical components of XFBD were analyzed using UPLC-Q/TOF-MS.…”

Section: Discussionmentioning

confidence: 99%

Xuanfei Baidu Formula attenuates LPS-induced acute lung injury by inhibiting the NF-κB signaling pathway

Zhu

Luo

Zhang

et al. 2023

Journal of Ethnopharmacology

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Section: Discussionmentioning

confidence: 99%

Xuanfei Baidu Formula attenuates LPS-induced acute lung injury by inhibiting the NF-κB signaling pathway

Zhu

Luo

Zhang

et al. 2023

Journal of Ethnopharmacology

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“…All above-identified chemical compounds in the DNE through UPLC-ESI-Q-Obitrap MS analysis were evaluated for their pharmaceutical properties (GIA, gastrointestinal absorption and DL, druglikeness) by using the SwissADME database; the compounds would be regarded as medicinal compounds only when the predicted ADME results both met the requirements of “high” in GIA and ≥2 of 5 (Lipinski, Ghose, Veber, Egan and Muegge) conditions in DL [ 35 , 36 ]. The qualified compounds were imported into the SwissTargetPrediction and PharmMapper database, with the species being restricted to “Homo sapiens” for target prediction.…”

Section: Methodsmentioning

confidence: 99%

Chemical Constituents and Hypoglycemic Mechanisms of Dendrobium nobile in Treatment of Type 2 Diabetic Rats by UPLC-ESI-Q-Orbitrap, Network Pharmacology and In Vivo Experimental Verification

Zeng

Geng

et al. 2023

Molecules

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This study aimed to systematically explore the chemical constituents of D. nobile and its hypoglycemic effect by UPLC-ESI-Q-Orbitrap, network pharmacology and in vivo experiment. The chemical constituents of D. nobile were qualitatively analyzed, and the hypoglycemic compounds were quickly identified. Network pharmacological analysis and molecular docking technique were applied to assist in the elucidation of the hypoglycemic mechanisms of D. nobile. A type 2 diabetic mellitus (T2DM) rat model was established using the HFD and STZ method for in vivo experimental verification, and these T2DM rats were treated with D. nobile extract and D. nobile polysaccharide for two months by gavage. The results showed that a total of 39 chemical constituents of D. nobile, including alkaloids, bibenzyls, phenanthrenes and other types of compounds, were identified. D. nobile extract and D. nobile polysaccharide could significantly ameliorate the body weight, hyperglycemia, insulin resistance, dyslipidemia and morphological impairment of the liver and pancreas in the T2DM rats. α-Linolenic acid, dihydroconiferyl dihydro-p-coumarate, naringenin, trans-N-feruloyltyramine, gigantol, moscatilin, 4-O-methylpinosylvic acid, venlafaxine, nordendrobin and tristin were regarded as the key hypoglycemic compounds of D. nobile, along with the hypoglycemic effect on the PI3K-AKT signaling pathway, the insulin signaling pathway, the FOXO signaling pathway, the improvement of insulin resistance and the AGE-RAGE signaling pathway. The Western blotting experiment results confirmed that D. nobile activated the PI3K/AKT pathway and insulin signaling pathway, promoted glycogen synthesis via regulating the expression of glycogen synthase kinase 3 beta (GSK-3β) and glucose transporter 4 (GLUT4), and inhibited liver gluconeogenesis by regulating the expression of phosphoenolpyruvate carboxykinase (PEPCK) and glucose 6 phosphatase (G6pase) in the liver. The results suggested that the hypoglycemic mechanism of D. nobile might be associated with liver glycogen synthesis and gluconeogenesis, contributing to improving insulin resistance and abnormal glucose metabolism in the T2DM rats.

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“…However, network pharmacology integrates bioinformatics, omics, pharmacology, and phytochemistry to elucidate the active compounds, multiple targets, synergistic interactions, and potential mechanisms of TCM [ 35 , 36 , 37 ]. In recent years, network pharmacology has helped researchers to successfully discover the pharmacological effects and mechanisms of action of Chinese herbal prescriptions (e.g., Huo Tan Chu Shi Decoction, Shexiang Xintong Ning, and Baihe Decoction) [ 38 , 39 , 40 ], Chinese medicinal herbs (e.g., Salvia miltiorrhiza, Huangqi, and Shanzha) [ 41 , 42 , 43 ], and ingredients of TCMs (e.g., curcumin, quercetin, and triterpenoids) [ 44 , 45 , 46 ].…”

Section: Introductionmentioning

confidence: 99%

Mechanism of Action of Flavonoids of Oxytropis falcata on the Alleviation of Myocardial Ischemia–Reperfusion Injury

et al. 2022

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Oxytropis falcata Bunge is a plant used in traditional Tibetan medicine, with reported anti-inflammatory and antioxidants effects and alleviation of myocardial ischemia reperfusion injury (MIRI). However, the underlying mechanism against MIRI and the phytochemical composition of O. falcata are vague. One fraction named OFF1 with anti-MIRI activity was obtained from O. falcata, and the chemical constituents were identified by ultra-high-performance liquid chromatography coupled with tandem mass spectrometry (UHPLC–MS). The potential targets and signaling pathways involved in the action of O. falcata against MIRI were predicted by network pharmacology analysis, and its molecular mechanism on MIRI was determined by in vitro assays. The results revealed that flavonoids are the dominant constituents of OFF1. A total of 92 flavonoids reported in O. falcata targeted 213 potential MIRI-associated factors, including tumor necrosis factor (TNF), prostaglandin-endoperoxide synthase 2 (PTGS2), and the NF-κB signaling pathway. The in vitro assay on H9c2 cardiomyocytes subjected to hypoxia/reoxygenation injury confirmed that the flavonoids in OFF1 reduced myocardial marker levels, apoptotic rate, and the inflammatory response triggered by oxidative stress. Moreover, OFF1 attenuated MIRI by downregulating the ROS-mediated JNK/p38MAPK/NF-κB pathway. Collectively, these findings provide novel insights into the molecular mechanism of O. falcata in alleviating MIRI, being a potential therapeutic candidate.

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Chemical profile and potential mechanisms of Huo-Tan-Chu-Shi decoction in the treatment of coronary heart disease by UHPLC-Q/TOF-MS in combination with network pharmacology analysis and experimental verification

Cited by 16 publications

References 42 publications

Xuanfei Baidu Formula attenuates LPS-induced acute lung injury by inhibiting the NF-κB signaling pathway

Xuanfei Baidu Formula attenuates LPS-induced acute lung injury by inhibiting the NF-κB signaling pathway

Chemical Constituents and Hypoglycemic Mechanisms of Dendrobium nobile in Treatment of Type 2 Diabetic Rats by UPLC-ESI-Q-Orbitrap, Network Pharmacology and In Vivo Experimental Verification

Mechanism of Action of Flavonoids of Oxytropis falcata on the Alleviation of Myocardial Ischemia–Reperfusion Injury

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