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Article: A Network Pharmacology and Molecular Dynamics Simulation-Based Study of Qing Run Hua Jie Decoction in Interstitial Pneumonia Treatment.

Li, Chunxiang / Lian, Yingbin / Lin, Yaoshen / Li, Zhihua

2024 Volume 17, Page(s) 605–621

Abstract: Objective: This study is dedicated to revealing the potential mechanism of Qin Run Hua Jie (QRHJ ...

Abstract	Objective: This study is dedicated to revealing the potential mechanism of Qin Run Hua Jie (QRHJ) decoction in Interstitial pneumonia (IP) treatment. Methods: The TCMSP database predicted the chemical components and targets of QRHJ decoction, and the IP-related genes were from the Genecards database. Cytoscape software was used to establish the interaction network. R package clusterProfiler was utilized for Gene Ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. The molecular docking analysis of target proteins and the corresponding active pharmaceutical ingredients in the core position of the interaction network was conducted. Then, molecular dynamics (MD) simulations of a potential active substance and its key targets were performed. The binding efficiency of EGFR and luteolin, HIF1A and diosgenin was detected by cellular thermal shift assay (CETSA), and protein expression was measured by Western blot. CCK-8 was used to detect cell activity. Results: A total of 153 active ingredients, 127 targets and 362 IP-related genes were obtained. KEGG enrichment analysis identified IP-related signaling pathways including HIF-1 signaling pathway and TNF signaling pathway. The two key components luteolin and diosgenin stably bound to the key targets EGFR and HIF1A. Cell experiments further showed that EGFR and luteolin, HIF1A and diosgenin bound to exert anti-fibrotic effects. Conclusion: As an active ingredient of QRHJ decoction, luteolin and diosgenin may exert therapeutic effect on IP through binding to the key target EGFR and HIF1A. This work initially revealed the key molecular mechanism of QRHJ decoction in IP treatment and offered theoretical evidence.
Language	English
Publishing date	2024-02-16
Publishing country	New Zealand
Document type	Journal Article
ZDB-ID	2494856-1
ISSN	1178-6973
ISSN	1178-6973
DOI	10.2147/IDR.S433755
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Huang-Lian-Jie-Du decoction alleviates depressive-like behaviors in dextran sulfate sodium-induced colitis mice via Trem2/Dap12 pathway.

Zheng, Jia-Yi / Li, Xiao-Xiao / Lin, Wei-Yao / Su, Shan / Wu, Hai-Cui / Hu, Rui-Dan / Pan, Hua-Feng / Ye, Jiang-Hong / Cai, Ye-Feng / Zhang, Shi-Jie

Journal of ethnopharmacology

2023 Volume 315, Page(s) 116658

Abstract: Ethnopharmacological relevance: Huang-Lian-Jie-Du decoction (HLJD), a traditional Chinese medicine ...

Abstract	Ethnopharmacological relevance: Huang-Lian-Jie-Du decoction (HLJD), a traditional Chinese medicine prescription, has been implicated as effective in treating colitis, depression and inflammation-related diseases. Whether HLJD decoction could ameliorate colitis-induced depression was still unknown and the underlying mechanism was needed to be clarified. Aim of the study: Our study aimed to explore the effect and the underlying mechanism of HLJD treatment on colitis-induced depression and the involvement of the inflammatory factors and microglial-activated related genes. Materials and methods: The chronic colitis model was established by treating male mice with 1% dextran sulfate sodium (DSS) for 8 weeks. One week after DSS-treated, HLJD decoction was administered orally with 2 and 4 g/kg daily for 7 weeks. Behavior tests (Open field/Elevated plus maze/Novel object recognition) and TUNEL staining were then assessed. The expression of inflammatory-related genes and microglial dysregulation were measured by RT-PCR and the expression of Trem2, Danp12 and Iba1 were assessed by immunofluorescence methods. Results: Depressive-like behaviors were observed in mice treated with DSS, which suffered colitis. Compared to normal control (NC-V) mice, the density of TUNEL + cells in the habenula (Hb), hippocampus (HIP), and cortex were significantly higher in colitis (DSS-V) mice, especially in Hb. Compared to NC-V and several brain regions, the expression levels of the Il-1β, Il-10 and Dap12 mRNA were significantly increased in the lateral habenula (LHb) of colitis mice. Moreover, the expression of Trem2, Dap12 and Iba1 were increased in LHb of DSS-V mice. HLJD treatment could alleviate depressive-like behaviors, reduce the density of TUNEL + cells in Hb and the expression of Il-6, Il-10 and Dap12 mRNA in LHb of DSS-V mice. The overexpression of Trem2, Dap12 and Iba1 in LHb of DSS-V mice were reversed after HLJD treatment. Conclusion: These results reveal LHb is an important brain region during the process of colitis-induced depression. HLJD treatment could alleviates depressive-like behaviors in colitis mice via inhibiting the Trem2/Dap12 pathway in microglia of LHb, which would contribute to the precise treatment. It provides a potential mechanistic explanation for the effectiveness of HLJD treatment in colitis patients with depression.
MeSH term(s)	Male ; Animals ; Mice ; Interleukin-10/metabolism ; Dextran Sulfate ; Colitis/chemically induced ; Colitis/drug therapy ; Colitis/metabolism ; Drugs, Chinese Herbal/adverse effects ; Mice, Inbred C57BL ; Disease Models, Animal ; Colitis, Ulcerative/drug therapy ; Colon ; Membrane Glycoproteins/metabolism ; Receptors, Immunologic/metabolism
Chemical Substances	oren gedoku to ; Interleukin-10 (130068-27-8) ; Dextran Sulfate (9042-14-2) ; Drugs, Chinese Herbal ; Trem2 protein, mouse ; Membrane Glycoproteins ; Receptors, Immunologic
Language	English
Publishing date	2023-05-30
Publishing country	Ireland
Document type	Journal Article
ZDB-ID	134511-4
ISSN	1872-7573 ; 0378-8741
ISSN (online)	1872-7573
ISSN	0378-8741
DOI	10.1016/j.jep.2023.116658
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Article: Qu-Du-San-Jie decoction induces growth inhibition and vascular normalization in NF2-associated vestibular schwannoma.

Lin, Jie / Li, Shi-Wei / Zhang, Jing / Chu, Fu-Hao / Li, Cheng-Ze / Bie, Zhi-Xu / Tang, Han-Lu / Gao, Shan / Li, Ping / Liao, Meng-Ting / Xin, Tian-Xi / Zhao, Fu / Liu, Pi-Nan / Ding, Xia

Frontiers in pharmacology

2022 Volume 13, Page(s) 941854

Abstract: Background: ...

Abstract	Background:
Language	English
Publishing date	2022-08-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2587355-6
ISSN	1663-9812
ISSN	1663-9812
DOI	10.3389/fphar.2022.941854
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Article ; Online: Qing-Xin-Jie-Yu Granule inhibits ferroptosis and stabilizes atherosclerotic plaques by regulating the GPX4/xCT signaling pathway.

Zhang, Jie / Wang, Xinyi / Guan, Baoyi / Wang, Xue / An, Xiaojing / Wang, Tong / Chen, Xuanye / Zhao, Lin / Jia, Jundi / Song, Luxia / Ma, Dan / Li, Qiuyi / Zhang, He / Ju, Jianqing / Xu, Hao

Journal of ethnopharmacology

2022 Volume 301, Page(s) 115852

Abstract: Ethnopharmacological relevance: Qing-Xin-Jie-Yu Granule (QXJYG) is an integrated ...

Abstract	Ethnopharmacological relevance: Qing-Xin-Jie-Yu Granule (QXJYG) is an integrated traditional Chinese medicine formula used to treat atherosclerotic (AS) cardiovascular diseases. A randomized controlled trial found that QXJYG reduced cardiovascular events and experiments also verified that QXJYG attenuated AS by remodeling the intestinal flora. Aim of the study: To determine whether QXJYG would attenuate AS and plaque vulnerability by regulating ferroptosis in high-fat diet-induced atherosclerotic ApoE Methods: AS models in ApoE Results: QXJYG attenuated AS progression and plaque vulnerability. Characteristic morphological changes of ferroptosis in the QXJYG-treated animals were rare. Total iron was significantly lower in the QXJYG group than in the model group (P < 0.05); QXJYG suppressed the lipid peroxidation (LPO) levels (malondialdehyde), enhanced the antioxidant capacity (superoxide dismutase and glutathione), and reduced inflammatory factors (interleukin [IL]-6, IL-1β, tumor necrosis factor-α) associated with ferroptosis. Expression of GPX4/xCT in aorta tissues was remarkably increased in the QXJYG group. QXJYG inhibited ferroptosis in J744A.1 macrophages disturbed using RSL3. The Fe Conclusion: QXJYG inhibits ferroptosis in vulnerable AS plaques partially via the GPX4/xCT signaling pathway.
MeSH term(s)	Animals ; Mice ; Amino Acid Transport Systems, Acidic/metabolism ; Apolipoproteins E ; Ferroptosis ; Plaque, Atherosclerotic/drug therapy ; Signal Transduction
Chemical Substances	Amino Acid Transport Systems, Acidic ; Apolipoproteins E ; glutathione peroxidase 4, mouse (EC 1.11.1.9) ; qing-xin-jie-yu granules
Language	English
Publishing date	2022-10-20
Publishing country	Ireland
Document type	Journal Article
ZDB-ID	134511-4
ISSN	1872-7573 ; 0378-8741
ISSN (online)	1872-7573
ISSN	0378-8741
DOI	10.1016/j.jep.2022.115852
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Article: Composition and Bioactivity of a Modified Huang-Lian-Jie-Du Decoction.

Lin, Mei-Yi / Chen, Lih-Geeng / Siao, Ying-Yu / Lin, Tao-Hsuan / Huang, I-An / Liu, Yi-Wen / Huang, Chin-Chin

Evidence-based complementary and alternative medicine : eCAM

2022 Volume 2022, Page(s) 2147923

Abstract: ... prepared a modified Huang-Lian-Jie-Du (mHLJD) decoction cream using 10 herbs, which effectively alleviated ...

Abstract	Background: Epidermal growth factor receptor inhibitors (EGFRIs) and tyrosine kinase inhibitors (TKIs) are key drugs in targeted cancer therapy. However, they may cause skin toxicity. We previously prepared a modified Huang-Lian-Jie-Du (mHLJD) decoction cream using 10 herbs, which effectively alleviated EGFRI/TKI-induced skin toxicity. In the present study, we identified the reference markers of the mHLJD decoction and investigated the anti-inflammatory and antibacterial effects of the mHLJD decoction extract. Methods: We performed high-performance liquid chromatography (HPLC) to determine the composition of the mHLJD decoction. Human epidermoid A431 cells were treated with tumor necrosis factor (TNF)- Results: HPLC results revealed that the mHLJD decoction primarily consisted of geniposide, berberine chloride, baicalin, coptisine, and palmatine. TNF-
Language	English
Publishing date	2022-09-27
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2022/2147923
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Article: Real-World Study on Chai-Shi-Jie-Du Granules for the Treatment of Dengue Fever and the Possible Mechanisms Based on Network Pharmacology.

Yang, Huiqin / Ma, Dehong / Li, Qin / Zhou, Wen / Chen, Hongyi / Shan, Xiyun / Zheng, Haipeng / Luo, Chun / Ou, Zhiyue / Xu, Jielan / Wang, Changtai / Zhao, Lingzhai / Su, Rui / Chen, Yuehong / Liu, Qingquan / Tan, Xinghua / Lin, Luping / Jiang, Tao / Zhang, Fuchun

Evidence-based complementary and alternative medicine : eCAM

2023 Volume 2023, Page(s) 9942842

Abstract: ... for dengue fever. This real-world study aimed to evaluate the effects of Chai-Shi-Jie-Du (CSJD) granules ...

Abstract	Objectives: Traditional Chinese medicine (TCM) is a widely used method for treating dengue fever in China. TCM improves the symptoms of patients with dengue, but there is no standard TCM prescription for dengue fever. This real-world study aimed to evaluate the effects of Chai-Shi-Jie-Du (CSJD) granules for the treatment of dengue fever and the underlying mechanisms. Methods: We implemented a multicenter real-world study, an Results: 137 pairs of patients were successfully matched according to age, sex, and the time from onset to presentation. The time to defervescence (1.7 days vs. 2.5 days, Conclusions: CSJD granules exhibit high potential for the treatment of dengue fever, and the therapeutic mechanisms involved could be related to regulating immunity, moderating the oxidative stress response, and the response to lipopolysaccharide.
Language	English
Publishing date	2023-08-30
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2023/9942842
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Article: A Mechanism Exploration for the Yi-Fei-San-Jie Formula against Non-Small-Cell Lung Cancer Based on UPLC-MS/MS, Network Pharmacology, and

Hu, Leihao / He, Canfeng / Mo, Aier / Zhan, Xingkai / Yang, Caizhi / Guo, Wei / Sun, Lingling / Su, Weiwei / Lin, Lizhu

Evidence-based complementary and alternative medicine : eCAM

2023 Volume 2023, Page(s) 3436814

Abstract: Non-small-cell lung cancer (NSCLC) is one of the most prevalent cancers worldwide. A Yi-Fei-San-Jie ...

Abstract	Non-small-cell lung cancer (NSCLC) is one of the most prevalent cancers worldwide. A Yi-Fei-San-Jie formula (YFSJF), widely used in NSCLC treatment in south China, has been validated in clinical studies. However, the pharmacological mechanism behind it remains unclear. In this study, 73 compounds were identified using ultraperformance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), with 58 enrolled in network pharmacology. The protein-protein interaction network, functional enrichment analysis, and compound-target-pathway network were constructed using 74 overlapping targets from 58 drugs and NSCLC. YFSJF has many targets and pathways in the fight against NSCLC. PIK3R1, PIK3CA, and AKT1 were identified as key targets, and the PI3K/AKT pathway was identified as the key pathway. According to the Human Protein Atlas (THPA) database and the Kaplan-Meier Online website, the three key targets had varying expression levels in normal and abnormal tissues and were linked to prognosis. Molecular docking and dynamics simulations verified that hub compounds have a strong affinity with three critical targets. This study revealed multiple compounds, targets, and pathways for YFSJF against NSCLC and suggested that YFSJF might inhibit PIK3R1, PIK3CA, and AKT1 to suppress the PI3K/AKT pathway and play its pharmacological role.
Language	English
Publishing date	2023-01-09
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2023/3436814
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Article ; Online: Qing-Xin-Jie-Yu Granule alleviates atherosclerosis by reshaping gut microbiota and metabolic homeostasis of ApoE-/- mice.

Wang, Anlu / Guan, Baoyi / Shao, Chang / Zhao, Lin / Li, Qiuyi / Hao, Haiping / Gao, Zhuye / Chen, Keji / Hou, Yuanlong / Xu, Hao

Phytomedicine : international journal of phytotherapy and phytopharmacology

2022 Volume 103, Page(s) 154220

Abstract: ... characteristics of atherosclerotic CVD, Qing-Xin-Jie-Yu Granule (QXJYG) is a Chinese traditional decoction ...

Abstract	Background: Atherosclerosis (AS) is a key pathological factor in cardiovascular disease (CVD) and is characterized by high mortality and morbidity worldwide. Metabolic disorders, including pathoglycemia and dyslipidemia that lead to chronic inflammation, represent the prominent pathological characteristics of atherosclerotic CVD, Qing-Xin-Jie-Yu Granule (QXJYG) is a Chinese traditional decoction that has been clinically proven to be effective for patients with CVD. However, the underlying mechanisms have not been completely elucidated. Purpose: To investigate the protective effects of QXJYG against AS and its potential mechanisms. Methods: QXJYG was orally administered at doses of 1.664 and 4.992 g·kg Results: QXJYG retarded HFD-induced weight gain and reduced the increased serum levels of total cholesterol, triglycerides, and low-density lipoprotein-cholesterol, whereas high-dose QXJYG increased the serum level of high-density lipoprotein-cholesterol in HFD-fed ApoE-/- mice. Meanwhile, QXJYG reduced the serum levels, as well as aortas mRNA levels of the inflammatory cytokines, IL-1β and IL-6, which indicates that QXJYG is effective against metaflammation. Mechanistically, QXJYG reshaped the gut microbiota and its associated bile acids (BAs) metabolomic phenotype, partly by increasing the levels of BA synthesis enzymes, hepatic CYP7A1, and CYP27A1, while decreasing ileal FGF15 and β-Klotho mRNA expression, favoring facilitated de novo BAs synthesis and thereby driving cholesterol catabolic excretion. Conclusion: Our findings indicate that QXJYG is effective against HFD-triggered chronic inflammation, and contributes to the alleviation of AS development, and the antiatherogenic properties of QXJYG may be partly due to the remodeling of the gut microbiota and BA metabolism. Although the results are encouraging, further clinical studies of anti-AS herbal medicines are required to elucidate the full potential of the gut microbiota and BA metabolism.
MeSH term(s)	Animals ; Apolipoproteins E ; Atherosclerosis/metabolism ; Cholesterol/metabolism ; Diet, High-Fat/adverse effects ; Drugs, Chinese Herbal ; Gastrointestinal Microbiome ; Homeostasis ; Humans ; Inflammation/metabolism ; Liver ; Mice ; Mice, Inbred C57BL ; RNA, Messenger/metabolism ; RNA, Ribosomal, 16S
Chemical Substances	Apolipoproteins E ; Drugs, Chinese Herbal ; RNA, Messenger ; RNA, Ribosomal, 16S ; qing-xin-jie-yu granules ; Cholesterol (97C5T2UQ7J)
Language	English
Publishing date	2022-06-01
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2022.154220
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Article: Qu-Yu-Jie-Du Decoction Ameliorates Dextran Sulfate Sodium-Induced Colitis in Mice by Modulation of Neutrophils and Macrophage Infiltration.

Zhao, Hongwei / Sun, Lingling / Xiao, Xi / Lin, Jietao / Shao, Cui / Lin, Lizhu

Evidence-based complementary and alternative medicine : eCAM

2022 Volume 2022, Page(s) 3762591

Abstract: ... patients will not react to therapy or will lose their response. Qu-Yu-Jie-Du Decoction (QYJD) is ...

Abstract	Background: Inflammatory bowel disease (IBD) is becoming a global disease. A percentage of IBD patients will not react to therapy or will lose their response. Qu-Yu-Jie-Du Decoction (QYJD) is a traditional Chinese medicine formula commonly used for intestinal diseases. It has been reported that QYJD has an anti-inflammatory effect, but the mechanism is not fully understood. In this study, we mainly evaluated the anti-inflammatory effect of QYJD and explored the possible mechanisms. Methods: Twenty-four BALB/ Results: QYJD alleviated the weight loss and colitis symptoms of mice caused by DSS. QYJD fought against the shortening of the intestine caused by DSS; that is, it improved the decline of intestinal compliance in mice and had a protective effect on colon tissues. The mechanisms were related to downregulating macrophages and neutrophils in colon tissues of infiltration. Besides, QYJD simultaneously reduced the activity of myeloperoxidase activity (MPO) and the contents of IL-1 Conclusions: QYJD can ameliorate DSS-induced colitis in mice and the mechanism is connected with a reduction in neutrophil and macrophage infiltration.
Language	English
Publishing date	2022-12-06
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2022/3762591
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Article ; Online: Identification of the active compounds in the Yi-Fei-San-Jie formula using a comprehensive strategy based on cell extraction/UPLC-MS/MS, network pharmacology, and molecular biology techniques.

Hu, Leihao / Luo, Jiamin / Wen, Guiqing / Sun, Lingling / Liu, Wei / Hu, Hao / Li, Jing / Wang, Lisheng / Su, Weiwei / Lin, Lizhu

Phytomedicine : international journal of phytotherapy and phytopharmacology

2023 Volume 115, Page(s) 154843

Abstract: ... systems. Yi-Fei-San-Jie formula (YFSJF) is commonly used to treat patients with lung cancer in South China ...

Abstract	Background: Chinese herbal formulae has multiple active constituents and targets, and the good clinical response is encouraging more scientists to explore the bio-active ingredients in such complex systems. Yi-Fei-San-Jie formula (YFSJF) is commonly used to treat patients with lung cancer in South China; however, its bio-active ingredients remain unknown. Purpose: We investigated the bio-active ingredients of the YFSJF using a novel comprehensive strategy. Methods: A549 cell extraction coupled with ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS/MS) was used for the screening of potential bio-active ingredients. Network pharmacology approach and molecular dynamics simulation were performed for the screening of targets. Surface plasmon resonance (SPR) assay and molecular biology techniques were used to verify the targets. Results: Nine A549 cell membrane-binding compounds were identified through cell extraction/UPLC-MS/MS. Five compounds, namely ginsenoside Ro, ginsenoside Rb1, ginsenoside Rc, peimisine, and peimine were cytotoxic to A549 cells, and they were considered the bio-active ingredients of the YFSJF in vitro. Network pharmacology analysis revealed that TGFBR2 is the key target and the TGFβ pathway is the key pathway targeted by YFSJF in non-small cell lung cancer. Peimisine showed an affinity to TGFBR2 using molecular docking and dynamic stimulation, which was confirmed using surface plasmon resonance spectroscopy. The molecular biology-based analysis further confirmed that peimisine targets TGFBR2 and can reverse A549 epithelial-mesenchymal transition by inhibiting the TGFβ pathway. Conclusion: Taken together, cell extraction/UPLC-MS/MS, network pharmacology, and molecular biology-based analysis comprise a feasible strategy to explore active ingredients in YFSJF.
MeSH term(s)	Humans ; Carcinoma, Non-Small-Cell Lung/drug therapy ; Receptor, Transforming Growth Factor-beta Type II ; Chromatography, High Pressure Liquid ; Chromatography, Liquid ; Lung Neoplasms/drug therapy ; Molecular Docking Simulation ; Network Pharmacology ; Tandem Mass Spectrometry ; Drugs, Chinese Herbal/pharmacology
Chemical Substances	Receptor, Transforming Growth Factor-beta Type II (EC 2.7.11.30) ; Drugs, Chinese Herbal
Language	English
Publishing date	2023-04-27
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2023.154843
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