Network pharmacology-based study on the mechanism of Yiganling capsule in hepatitis B treatment

Lü, Chao; Fu, Wanjin; Zhou, Renpeng; Hu, Wei

doi:10.1186/s12906-020-2815-y

Cited by 5 publications

(4 citation statements)

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“…Hepatocyte damage due to HBV infection and the pathogenesis of liver disease is not directly associated with the HBV, however it is caused by the immune-mediated host HBV interactions [33]. The complex mechanisms that cause HBV-mediated liver disease are not fully understood due to the involvement of complex protein-protein interactions with multiple host factors [34].…”

Section: Discussionmentioning

confidence: 99%

Pharmacoinformatics Analysis Reveal Flavonoids and Diterpenoids from Andrographis Paniculata and Thespesia Populnea as Potential Modulators of Hepatitis B Virus Induced Hepatocellular Carcinoma

Patil

Harish²,

Vetrivel³

et al. 2021

Preprint

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Herbs are widely utilized in the Western Ghats region of India to treat liver diseases and viral infections. However, such practices lack scientific evidence at the molecular level and may often pose adverse drug reactions. Thus, by this study we intend to identify phytocompounds having druggability and non-toxic profiles with potential activity against HBV-induced HCC. To startwith, the details of phytocompounds in traditionally utilized herbs in Western Ghats region were collated from chemical databases and publications. The druggability and toxicity of these compounds were predicted using MolSoft and ADVERpred, respectively. The probable targets of these phytocompounds were predicted using BindingDB. Moreover, compound-gene set pathways, cellular processes, and functional enrichment analysis were also performed using STRING and KEGG pathway databases. Subsequently, Herb-compound-target-disease pathway networks were constructed using Cytoscape 3.6.1. The potential hub protein was virtually screened against ligand dataset using POAP pipeline. Finally, molecular dynamics (MD) simulations of the most potential protein-ligand complexes were performed in triplicate using Desmond 6.1v. Amongst 274 compounds from 16 herbs studied, 36 showed drug likeness with nontoxic properties, and were also predicted to modulate 16 potential targets involved in the pathogenesis of HBV-induced HCC. Among all the molecules screened, flavonoids and diterpenoids from Andrographis paniculata and Thespesia populnea scored the highest edge count via modulating multiple targets and pathways. Moreover, molecular docking and MD simulation (100ns) also inferred that the top ranking Andrographin and Gossypetin to exhibit stable intermolecular interactions with EGFR protein, which was identified as highly connected hub protein in the constructed network. All these findings are suggestive of these moieties as potential therapeutics for targeting HBV-associated HCC sans adverse drug reactions.

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Section: Discussionmentioning

confidence: 99%

Pharmacoinformatics Analysis Reveal Flavonoids and Diterpenoids from Andrographis Paniculata and Thespesia Populnea as Potential Modulators of Hepatitis B Virus Induced Hepatocellular Carcinoma

Patil

Harish²,

Vetrivel³

et al. 2021

Preprint

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“…Network pharmacology is a multidisciplinary approach that utilizes theories from systems biology and pharmacology to investigate the mechanism of action of drugs in the treatment of diseases (Fu et al, 2021; Zhen et al, 2023). An increasing body of research has demonstrated that network pharmacology could systematically and comprehensively elucidate the mechanism of TCM in the treatment of diseases (Liang et al, 2023; Liao et al, 2023; Wang et al, 2023). However, the prototype compounds in herbs online databases used to generate compound–target maps produce false positive results.…”

Section: Introductionmentioning

confidence: 99%

Combination of UPLC–Q‐TOF/MS and network pharmacology to reveal the mechanism of Chaihu‐jia‐Longgu‐Muli decoction for treating vertigo with anxiety disorder

Wu,

Dong,

Liu

et al. 2024

Biomedical Chromatography

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Chaihu‐jia‐Longgu‐Muli decoction (CLMD) has been proven clinically effective in treating vertigo with anxiety disorder. However, the mechanism is not clear. This study aimed to explore the mechanism of CLMD in treating vertigo with anxiety disorder based on ultra‐performance liquid chromatography–quadrupole time‐of‐flight/mass spectrometry (UPLC–Q‐TOF/MS) and network pharmacology. UPLC–Q‐TOF/MS was performed to identify the compounds in blood and the targets of compounds of CLMD in vertigo and anxiety were searched using databases. A protein–protein interaction network was built to screen the core targets. The core targets were analyzed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses. In addition, the vertigo with anxiety rat model was used to verify the results. A total of 22 compounds were absorbed into the blood. Eighty‐one potential targets associated with CLMD for vertigo with anxiety disorder were identified through network pharmacological analysis. Subsequently, GO and KEGG analysis showed that CLMD treatment for vertigo with anxiety disorder is associated with neurotransmitter levels and other pertinent physiological processes. The results of the animal experiments showed that CLMD decreased the levels of serotonin, norepinephrine and dopamine, alleviating the symptoms of vertigo and anxiety disorder in model rats. The study revealed CLMD could alleviate vertigo and anxiety symptoms through reducing the levels of neurotransmitters.

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“…Network pharmacology is an emerging approach that integrates network biology with poly-pharmacology [ 17 ]. This concept was presented for the first time in 2007 by pharmacologist Hopkins and was regarded as the next paradigm in drug discovery [ 18 ].…”

Section: Introductionmentioning

confidence: 99%

“…Network pharmacology is an emerging approach that integrates network biology with poly-pharmacology [17].…”

Section: Introductionmentioning

confidence: 99%

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

Gholais

Shi

Zhang

et al. 2022

Evidence-Based Complementary and Alternative Medicine

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Background. JinGuanLan (JGL) formula is a traditional Chinese medicine (TCM) developed by the Department of Pharmacology at the First Hospital of Lanzhou University. The network pharmacology approach was applied to determine the potential active compounds, therapeutic targets, and main pathways of the JGL formula to evaluate its application value in acne vulgaris. Methods. Data on the active compounds and their related targets were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Acne vulgaris-related targets were searched from the Online Mendelian Inheritance in Man (OMIM) database, GeneCards Database, Comparative Toxicogenomics Database (CTD), Therapeutic Target Database (TTD), and DisGeNET Database. Targets intersecting between JGL- and acne vulgaris-related targets were chosen as potential therapeutic targets. The protein-protein interaction (PPI) network of potential therapeutic targets was visualized using Cytoscape software based on the PPI data collected from the STRING database. Three topological features, namely, “Degree,” “MCC,” and “EPC” of each node in the PPI network were calculated using the cytoHubba plugin of Cytoscape to excavate the core targets. R program was used for the Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis of the potential therapeutic targets. Finally, the compound–target–pathway network was constructed. Result. Among the 148 active compounds that were identified, quercetin and kaempferol showed the highest degree of target interaction and thus may play essential roles in the pharmacological effect of the JGL formula for acne treatment. Among the 97 potential therapeutic targets that were screened out, the 6 core targets were TNF, JUN, IL6, STAT3, MAPK1, and MAPK3. A total of 2260 terms of GO enrichment analysis were obtained, including 2090 for biological processes (BP), 37 for cellular components (CC), and 133 for molecular function (MF). A total of 156 enriched KEGG pathways were identified, including TNF, IL-17, Th17 cell differentiation, MAPK, PI3K-Akt, T cell receptor, and Toll-like receptor signalling pathways. Conclusion. This work showed that the JGL formula might reverse the pathological changes associated with acne vulgaris through its antiinflammatory effect and regulate the excessive lipogenesis in sebaceous glands via different signalling pathways. This new drug has application value and is worthy of further research and development.

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Network pharmacology-based study on the mechanism of Yiganling capsule in hepatitis B treatment

Cited by 5 publications

References 50 publications

Pharmacoinformatics Analysis Reveal Flavonoids and Diterpenoids from Andrographis Paniculata and Thespesia Populnea as Potential Modulators of Hepatitis B Virus Induced Hepatocellular Carcinoma

Pharmacoinformatics Analysis Reveal Flavonoids and Diterpenoids from Andrographis Paniculata and Thespesia Populnea as Potential Modulators of Hepatitis B Virus Induced Hepatocellular Carcinoma

Combination of UPLC–Q‐TOF/MS and network pharmacology to reveal the mechanism of Chaihu‐jia‐Longgu‐Muli decoction for treating vertigo with anxiety disorder

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

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