Integrated plasma pharmacochemistry and network pharmacology to explore the mechanism of Gerberae Piloselloidis Herba in treatment of allergic asthma

Zhou, Kun; Lu, Dingyan; You, Jingrui; Liu, Ting; Sun, Jia; Lü, Yuan; Pan, Jie; Li, Yongjun

doi:10.1016/j.jep.2022.115624

Cited by 15 publications

(10 citation statements)

References 72 publications

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“…We successfully identified 17 active ingredients acting on the IL-17 signaling pathway and 21 working on the PI3K-Akt-NFκB signaling pathway, such as decursin and rosmarinic acid. It was reported that quercetin and luteolin could treat allergic asthma by acting as critical targets related to PI3K-Akt and IL-17 signaling pathways, which was also verified in vivo 58,59 . Decursin could improve inflammatory diseases by regulating multiple pathways, including the PI3K-Akt- NFκB signaling pathway 60 .…”

Section: Discussionmentioning

confidence: 79%

Herb-CMap: Novel Hot Diffusion Algorithm to Identify Bioactive Ingredients from Herbal Medicine Based on Gene Perturbation Profiling

Wang,

Sui,

Yao

et al. 2023

Preprint

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Traditional Chinese medicine (TCM) is a valuable drug discovery resource known for its therapeutic effects. However, the mechanisms of action (MOAs) of TCM prescriptions are often unknown due to limited target information and the complexity of multiple ingredients and targets. This study introduces TCM-CMap (Connecting Map from Gene Perturbation to Therapeutical Targets for TCM), a framework designed to prioritize active ingredients and targets within TCM prescriptions by integrating transcriptomics-based gene perturbation data with a random walk algorithm. This methodology bridges the gap between gene perturbation in TCM prescriptions and their therapeutic target. Using the Suhuang antitussive capsule (Suhuang) for treating cough variant asthma (CVA) as a case study, we identify and experimentally verify that quercetin and luteolin directly interact with Il17a, Pik3cb, Pik3cd, Akt1, and Tnf. These interactions inhibit the IL-17 signaling pathway and inactivate PI3K, Akt, and NF-κB, preventing lung inflammation and treating CVA. Our findings demonstrate the potential of the TCM-CMap methodology to provide insights into the molecular MOAs of TCM prescriptions, advancing TCM drug discovery.

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Section: Discussionmentioning

confidence: 79%

Herb-CMap: Novel Hot Diffusion Algorithm to Identify Bioactive Ingredients from Herbal Medicine Based on Gene Perturbation Profiling

Wang,

Sui,

Yao

et al. 2023

Preprint

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“…The binding energy between the compound molecule and the target protein was used to evaluate the stability of ligand‐bound conformation. Generally, the lower the value of binding energy is, the stronger the binding activity of compounds with proteins is 44 . The results showed that 32 components identified in the serum of rats treated with ZQD‐W but not identified in that treated with ZQD‐W‐P can well dock with the target protein (binding energy was less than −5.0 kcal/mol), and most of them exhibited strong binding affinity with the target (binding energy was less than −7.0 kcal/mol) (Table 3).…”

Section: Resultsmentioning

confidence: 99%

“…Generally, the lower the value of binding energy is, the stronger the binding activity of compounds with proteins is. 44 The results showed that 32 components identified in the serum of rats treated with ZQD-W but not identified in that treated with ZQD-W-P can well dock with the target protein (binding energy was less than À5.0 kcal/mol), and most of them exhibited strong binding affinity with the target (binding energy was less than À7.0 kcal/mol) (Table 3). These data suggested that these specifically absorbed components of ZQD-W may combine PIK3CD to relieve MPS.…”

Section: Molecular Docking Analysismentioning

confidence: 99%

Rationality of the ethanol precipitation process in modern preparation production of Zishui‐Qinggan decoction evaluated by integrating UPLC‐QTOF‐MS/MS‐based chemical profiling/serum pharmacochemistry and network pharmacology

Wu,

Guo,

et al. 2024

Phytochemical Analysis

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IntroductionZishui‐Qinggan decoction (ZQD) is a classical traditional Chinese medicine formula (TCMF) for alleviating menopausal symptoms (MPS) induced by endocrine therapy in breast cancer patients. In the production of TCMF modern preparations, ethanol precipitation (EP) is a commonly but not fully verified refining process.ObjectivesChemical profiling/serum pharmacochemistry and network pharmacology approaches were integrated for exploring the rationality of the EP process in the production of ZQD modern preparations.Material and methodsUltra‐performance liquid chromatography–quadrupole time‐of‐flight tandem mass spectrometry (UPLC‐QTOF‐MS/MS) was applied to identify the chemical profiles and absorbed components of ZQD. Network pharmacology was used to identify targets and pathways related to MPS‐relieving efficacy.ResultsThe chemicals of ZQDs without/with EP process (referred to as ZQD‐W and ZQD‐W‐P, respectively) were qualitatively similar with 89 and 87 components identified, respectively, but their relative contents were different; 51 components were detectable in the serum of rats orally administered with ZQD‐W, whereas only 19 were detected in that administered with ZQD‐W‐P. Key targets, such as AKT1, and pathways, such as the PI3K‐Akt signalling pathway, affected by ZQD‐W and ZQD‐W‐P were similar, while the neuroactive ligand–receptor interaction pathway among others and the MAPK signalling pathway among others were specific pathways affected by ZQD‐W and ZQD‐W‐P, respectively. The specifically absorbed components of ZQD‐W could combine its specific key targets.ConclusionThe EP process quantitatively altered the chemical profiles of ZQD, subsequently affected the absorbed components of ZQD, and then affected the key targets and pathways of ZQD for relieving MPS. The EP process might result in variation of the MPS‐relieving efficacy of ZQD, which deserves further in vivo verification.

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“…However, because that research was only conducted in vitro, further testing in live animal models, as well as human cell or tissue samples, is needed [43]. Some researchers have used network pharmacology, molecular docking, and bioinformatics to elucidate some traditional drugs that are commonly used but whose pharmacological mechanisms of action are unknown, including Chuankezhi injection, ephedra, modified Guo Min decoction, Gerbera Piloselloides Herba, Qi-Wei-Du-Qi-Wan, Huanglong cough oral liquid, Hyssopus cuspidatus Boriss, conciliatory anti-allergic decoction, Cucumis sativus L., Ziziphus mauritiana Lam leaves, Zhisou San, and Vochysia divergens Pohl (popularly known as "Cambará") [44][45][46][47]. Together, those studies demonstrated that luteolin could reduce airway inflammation and increase Th2 in OVA-sensitized mice while also effectively reducing autophagy levels in the lungs of asthmatic mice.…”

Section: Asthmamentioning

confidence: 99%

Immunopharmacological Activities of Luteolin in Chronic Diseases

Huang

Kim

Cho

2023

IJMS

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Flavonoids have been shown to have anti-oxidative effects, as well as other health benefits (e.g., anti-inflammatory and anti-tumor functions). Luteolin (3′, 4′, 5,7-tetrahydroxyflavone) is a flavonoid found in vegetables, fruits, flowers, and herbs, including celery, broccoli, green pepper, navel oranges, dandelion, peppermint, and rosemary. Luteolin has multiple useful effects, especially in regulating inflammation-related symptoms and diseases. In this paper, we summarize the studies about the immunopharmacological activity of luteolin on anti-inflammatory, anti-cardiovascular, anti-cancerous, and anti-neurodegenerative diseases published since 2018 and available in PubMed or Google Scholar. In this review, we also introduce some additional formulations of luteolin to improve its solubility and bioavailability.

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Integrated plasma pharmacochemistry and network pharmacology to explore the mechanism of Gerberae Piloselloidis Herba in treatment of allergic asthma

Cited by 15 publications

References 72 publications

Herb-CMap: Novel Hot Diffusion Algorithm to Identify Bioactive Ingredients from Herbal Medicine Based on Gene Perturbation Profiling

Herb-CMap: Novel Hot Diffusion Algorithm to Identify Bioactive Ingredients from Herbal Medicine Based on Gene Perturbation Profiling

Rationality of the ethanol precipitation process in modern preparation production of Zishui‐Qinggan decoction evaluated by integrating UPLC‐QTOF‐MS/MS‐based chemical profiling/serum pharmacochemistry and network pharmacology

Immunopharmacological Activities of Luteolin in Chronic Diseases

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