Network Pharmacology-Based Investigation on the Mechanism of the JinGuanLan Formula in Treating Acne Vulgaris

Gholais, Noha Saleh; Shi, Chunrui; Zhang, Jing; Liao, Bei; Albarmaqi, Rowida A.; Tang, Xiaolong; Mi, Leyuan

doi:10.1155/2022/6944792

Cited by 5 publications

(3 citation statements)

References 48 publications

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“…The "Network Analyzer" function of Cytoscape 3.9.0 was used to analyze the topology of the PPI network and calculate three parameters: betweenness centrality (BC), closeness centrality (CC) and degree centrality (DC), are simultaneously greater than the median value are retained, and the core common targets are nally ltered [18]. The larger the value of the network parameters, the more important the node is and the more likely the target is to become a core target [19].…”

Section: Network Constructionmentioning

confidence: 99%

Study on the action mechanism of the Fujin Shengji (FJSJ) Powder on diabetic ulcer based on network pharmacology and molecular docking

Bai

et al. 2023

Preprint

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Background and Objectives: Fujin Shengji (FJSJ) Powder is mainly used for treating all kinds of canker sores and gangrene. However, there are relatively few studies on the treatment of diabetic ulcer (DU) with FJSJ Powder, and the mechanism is uncertain. This study aimed to explore the potential mechanism of FJSJ Powder in the treatment of DU using network pharmacology and molecular docking. Methods: The main active ingredients and targets for the FJSJ Powder were obtained from the TCMSP database and the published reports. Diabetic ulcer-related targets were searched from the Genecards, Disgenet, Drugbank, OMIM and TTD database. The intersection targets of FJSJ Powder and diabetic ulcer were considered as potential therapeutic targets. The Metascape online database was used for the GO and KEGG enrichment analyses. And then, the protein-protein interaction (PPI) network, herb-ingredient-target-disease (H-I-T-D) network, and herb-ingredient-target-pathway (H-I-T-P) network were constructed. Finally, we used AutoDock Vina and PyMOL software to investigate the molecular docking of the top 15 key active chemical ingredients to the top 15 key target proteins in the PPI network. Result: We collect all the 800 potential targets for 100 active ingredients in FJSJ Powder, 862 diabetic ulcer-related targets, and yielded 196 potential therapeutic targets and 76 key potential therapeutic targets of the FJSJ Powder for DU treatment. A total of 2597 terms of GO enrichment analysis were obtained, including 2284 BP terms, 100 CC terms, and 213 MF terms. A total of 210 enriched KEGG pathways were identied, including AGE-RAGE, PI3K-AKT, HIF-1, MAPK, and TNF signaling pathway. The molecular docking demonstrated that boswellic acid compounds such as AKBA, ABK, α-boswellic acid, β-boswellic acid have low binding energy to several genes. Conclusions: FJSJ Powder regulates DU treatment via a multitarget, component, and signal pathway with a cooperative and bidirectional regulatory mechanism. Its active ingredients may treat DU by regulating the expression of IL6, TNF, AKT1, VEGFA, IL1B, CASP3, PPARG, TP53, and other targets, as well as activating or inhibiting AGE-RAGE, PI3K-AKT, HIF-1, MAPK, and TNF signaling pathways, which exerts immunomodulatory functions, inhibits trauma inflammation and promotes endothelial cell proliferation and migration in order to promote wound healing. This provides new insights for further experiments on the pharmacological effects of FJSJ Powder.

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Section: Network Constructionmentioning

confidence: 99%

Study on the action mechanism of the Fujin Shengji (FJSJ) Powder on diabetic ulcer based on network pharmacology and molecular docking

Bai

et al. 2023

Preprint

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“… Diabetic nephropathy Amelioration in endothelial dysfunction, fatty liver disease, diabetes mellitus, acute kidney injury, fibrosis, hypertensive disease, obesity, etc. [ 34 ] 4 - Quercetin and kaempferol TNF, JUN, IL6, STAT3, MAPK1, and MAPK3 Acne Vulgaris Anti-inflammatory effect and regulate the excessive lipogenesis in sebaceous glands via different signaling pathways [ 104 ] 5 Gelsemium elegans Gelegamine E, gelsesyringalidine, humantenine, gelsedine, 19-z-akuammidine, gelegamine B, tabersonine, koumine, gelsemine MAPK3, HSP90AA1, JUN, EGFR, CDK1, TNF, CCND1, ESR1, PRKACA, CCNA2, CDC25C, CDK2, CCNB1, AR, CREBBP, AURKA, CDC25A, CHEK1, BCL2L1, and PIK3CD Anti-cancer Pathways in cancer, cell cycle, and colorectal cancer [ 105 ] 6 Danning Tablets (A polyherbal formulation) Quercetin, ß-sitosterol, luteolin, kaempferol, supraene, curcumenolactone C, and stigmasterol IL6, MAPK8, VEGFA, CASP3, ALB, APP, MYC, PPARG, and RELA Nonalcoholic Fatty Liver Disease Lipid metabolism, inflammation, oxidation, insulin resistance (IR), atherosclerosis, and apoptosis [ 106 ] 7 Panax notoginseng Mandenol, beta-sitosterol, stigmasterol, ginsenoside rh2, ginsenoside f2, quercetin VEGFA, MMP-9, MMP-2, FGF2, and COX-2 Diabetic Retinopathy Intervention of angiogenesis, inflammation, and apoptosis [ 107 ] <...…”

Section: Review Findingsmentioning

confidence: 99%

Metabolomics and Network Pharmacology in the Exploration of the Multi-Targeted Therapeutic Approach of Traditional Medicinal Plants

Sharma

Yadav

2022

Plants

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Metabolomic is generally characterized as a comprehensive and the most copious analytical technique for the identification of targeted and untargeted metabolite diversity in a biological system. Recently, it has exponentially been used for phytochemical analysis and variability among plant metabolites, followed by chemometric analysis. Network pharmacology analysis is a computational technique used for the determination of multi-mechanistic and therapeutic evaluation of chemicals via interaction with the genomes involved in targeted or untargeted diseases. In considering the facts, the present review aims to explore the role of metabolomics and network pharmacology in the scientific validation of therapeutic claims as well as to evaluate the multi-targeted therapeutic approach of traditional Indian medicinal plants. The data was collected from different electronic scientific databases such as Google Scholar, Science Direct, ACS publication, PubMed, Springer, etc., using different keywords such as metabolomics, techniques used in metabolomics, chemometric analysis, a bioinformatic tool for drug discovery and development, network pharmacology, methodology and its role in biological evaluation of chemicals, etc. The screened articles were gathered and evaluated by different experts for their exclusion and inclusion in the final draft of the manuscript. The review findings suggest that metabolomics is one of the recent most precious and effective techniques for metabolite identification in the plant matrix. Various chemometric techniques are copiously used for metabolites discrimination analysis hence validating the unique characteristic of herbal medicines and their derived products concerning their authenticity. Network pharmacology remains the only option for the unique and effective analysis of hundreds of chemicals or metabolites via genomic interaction and thus validating the multi-mechanistic and therapeutic approach to explore the pharmacological aspects of herbal medicines for the management of the disease.

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“…Network pharmacology is an emerging approach that combines network biology with poly‐pharmacology. It effectively overpasses the gap between TCM and modern medicine and promotes the study of the synergistic mechanism of TCM (Gholais et al., 2022; Guo et al., 2019). The aim of this study was to clarify the bioactive ingredients, targets, related signaling pathway and potential network relationships of PVL against HCC, based on network pharmacology.…”

Section: Introductionmentioning

confidence: 99%

Exploring the mechanism of bioactive components of Prunella vulgaris L. in treating hepatocellular carcinoma based on network pharmacology

Tu,

Feng,

Wang

et al. 2023

Chem Biol Drug Des

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In traditional Chinese Medicine, Prunella vulgaris L. (PVL) is potentially effective in the treatment of some human malignancies including hepatocellular carcinoma (HCC). However, the detailed mechanism of action remains unclear. The purpose of this study was to decipher the constitutes of the bioactive ingredients of PVL, and its mechanism against HCC using network pharmacology and in vitro experiments. The bioactive components of PVL were obtained by Traditional Chinese Medicine System Pharmacology Database and Analysis platform database, and the targets of bioactive components of PVL was investigated by Swiss Target Prediction database. HCC related targets were obtained from GEO database, GeneCards database and DisGeNET database, and the gene ontology function annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were conducted for annotating the biological function of gene targets. A protein–protein interaction network was constructed using STRING database. Molecular docking of key bioactive ingredients was performed using AutoDock Vina. Cell proliferation and apoptosis were detected by cell counting kit‐8 and flow cytometry, respectively. The expression level of the target genes of PI3K/Akt pathway were detected by qPCR. In the present work, 11 bioactive components of PVL were screened out, which acted on 177 potential targets. In addition, 13,517 genes were strongly associated with HCC pathogenesis, of which 158 targets are overlapped with PVL's targets. KEGG results identified 39 signaling pathways closely associated with the 158 targets. Molecular docking showed that the main bioactive components of PVL, kaempferol, morin, quercetin, luteolin, and spinasterol, had good binding activity with the core proteins in cancer biology such as AKT1, EGFR, SRC, ESR1, and PPARG. In vitro assays showed that quercetin, one of the main components of PVL extracts effectively inhibited HCC cell proliferation, and promoted apoptosis, which may be associated with PI3K/AKT signaling pathway. In summary, PVL may regulate HCC progression by regulating core targets such as AKT1, EGFR, SRC, ESR1, and PPARG, and acting on PI3K‐Akt signaling pathway.

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Network Pharmacology-Based Investigation on the Mechanism of the JinGuanLan Formula in Treating Acne Vulgaris

Cited by 5 publications

References 48 publications

Study on the action mechanism of the Fujin Shengji (FJSJ) Powder on diabetic ulcer based on network pharmacology and molecular docking

Study on the action mechanism of the Fujin Shengji (FJSJ) Powder on diabetic ulcer based on network pharmacology and molecular docking

Metabolomics and Network Pharmacology in the Exploration of the Multi-Targeted Therapeutic Approach of Traditional Medicinal Plants

Exploring the mechanism of bioactive components of Prunella vulgaris L. in treating hepatocellular carcinoma based on network pharmacology

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