Elucidation of the Mechanisms and Molecular Targets of Shuanglian Decoction for the Treatment of Hepatocellular Carcinoma Based on Network Pharmacology

He, Kun; Chen, Hua; Cao, Tianshou; Lin, Jiantao

doi:10.1021/acsomega.0c05550

Cited by 5 publications

(4 citation statements)

References 33 publications

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“…Network pharmacology has become a novel and effective method to observe the effects of drugs at the organ and organism levels and to explore the pharmacological mechanism of TCMs. Network pharmacology based on database information of genes, proteins, diseases, and drugs systematically observes the intervention and influence of drugs on the disease, revealing the synergy features of multimolecule drugs. , The mechanisms of the herb pair Danggui–Honghua for treating blood stasis syndrome were predicted by the network pharmacology approach . The effect of Shexiang Baoxin Pill on regulating disease by gene interactions was uncovered by network pharmacology …”

Section: Introductionmentioning

confidence: 99%

Study on the Mechanism of the Danggui–Chuanxiong Herb Pair on Treating Thrombus through Network Pharmacology and Zebrafish Models

Zhang

et al. 2021

ACS Omega

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Danggui−Chuanxiong (DC) is a commonly used nourishing and activating blood medicine pair in many gynecological prescriptions and modern Chinese medicine. However, its activating blood mechanism has not been clearly elucidated. Our research aimed at investigating the activating blood mechanisms of DC using network pharmacology and zebrafish experiments. Network pharmacology was used to excavate the potential targets and mechanisms of DC in treating thrombus. The antithrombotic, anti-inflammatory, antioxidant, and vasculogenesis activities of DC and the main components of DC, ferulic acid (DC2), ligustilide (DC7), and levistilide A (DC17), were evaluated by zebrafish models in vivo. A total of 24 compounds were selected as the active ingredients with favorable pharmacological parameters for this herb pair. A total of 89 targets and 18 pathways related to the thrombus process were gathered for active compounds. The genes, TNF, CXCR4, IL2, ESR1, FGF2, HIF1A, CXCL8, AR, FOS, MMP2, MMP9, STAT3, and RHOA, might be the main targets for this herb pair to exert cardiovascular activity from the analysis of protein−protein interaction and KEGG pathway results, which were mainly related to inflammation, vasculogenesis, immunity, hormones, and so forth. The zebrafish experiment results showed that DC had antithrombotic, anti-inflammatory, antioxidant, and vasculogenesis activities. The main compounds had different effects of zebrafish activities. Especially, the antithrombotic activity of the DC17H group, anti-inflammatory activities of DCH and DC2H groups, antioxidant activities of DCM, DCH, DC2, DC7, and DC17 groups, and vasculogenesis activities of DCM, DCH, and DC2 groups were stronger than those of the positive group. The integrated method coupled zebrafish models with network pharmacology provided the insights into the mechanisms of DC in treating thrombus.

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Section: Introductionmentioning

confidence: 99%

Study on the Mechanism of the Danggui–Chuanxiong Herb Pair on Treating Thrombus through Network Pharmacology and Zebrafish Models

Zhang

et al. 2021

ACS Omega

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“…Apoptosis is an evolutionarily conserved program of cell death, and the activation of apoptotic pathways and related molecular targets is an important anticancer strategy 72 , 73 ; mammalian apoptosis pathway mainly includes extrinsic apoptosis pathway (receptor‐mediated) and intrinsic apoptosis pathway (mitochondria‐mediated), p53 signalling pathway and PI3K/AKT signalling pathway play an important role in this process. The p53 signalling pathway can induce cell cycle arrest, repair, senescence and apoptosis by regulating genes such as p53 74 ; according to existing literature reports, 75 , 76 the p53 pathway is affected, which can promote the proliferation of GC cells, inhibit apoptosis and lead to cell cycle arrest, which can lead to the increase of GC malignant tumours. EA acts on TP53, CDKN1A, CDK4, BCL2L1, CYCS and CASP3, activates the p53 signalling pathway and induces cell cycle arrest, cell senescence and apoptosis to exert anticancer effects.…”

Section: Discussionmentioning

confidence: 99%

Exploring the mechanism of ellagic acid against gastric cancer based on bioinformatics analysis and network pharmacology

Liu,

Huang,

et al. 2023

J Cellular Molecular Medi

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Ellagic acid (EA) is a natural polyphenolic compound. Recent studies have shown that EA has potential anticancer properties against gastric cancer (GC). This study aims to reveal the potential targets and mechanisms of EA against GC. This study adopted methods of bioinformatics analysis and network pharmacology, including the weighted gene co‐expression network analysis (WGCNA), construction of protein–protein interaction (PPI) network, receiver operating characteristic (ROC) and Kaplan–Meier (KM) survival curve analysis, Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, molecular docking and molecular dynamics simulations (MDS). A total of 540 EA targets were obtained. Through WGCNA, we obtained a total of 2914 GC clinical module genes, combined with the disease database for screening, a total of 606 GC‐related targets and 79 intersection targets of EA and GC were obtained by constructing Venn diagram. PPI network was constructed to identify 14 core candidate targets; TP53, JUN, CASP3, HSP90AA1, VEGFA, HRAS, CDH1, MAPK3, CDKN1A, SRC, CYCS, BCL2L1 and CDK4 were identified as the key targets of EA regulation of GC by ROC and KM curve analysis. The enrichment analysis of GO and KEGG pathways of key targets was performed, and they were mainly enriched in p53 signalling pathway, PI3K‐Akt signalling pathway. The results of molecular docking and MDS showed that EA could effectively bind to 13 key targets to form stable protein–ligand complexes. This study revealed the key targets and molecular mechanisms of EA against GC and provided a theoretical basis for further study of the pharmacological mechanism of EA against GC.

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“…The network pharmacology approach, which reflects the interactions between biological macromolecules and chemical components, is a novel research paradigm to facilitate the discovery of new drugs. − Utilizing this approach, we obtained the candidate targets involved in the OA treatment of OP, constructed target networks, and conducted the enrichment analysis to reveal the possible action mechanism.…”

Section: Discussionmentioning

confidence: 99%

Network Pharmacology-Based Analysis on the Action Mechanism of Oleanolic Acid to Alleviate Osteoporosis

Gao

Fan

et al. 2021

ACS Omega

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Oleanolic acid (OA) is a triterpenoid commonly found in plants and has shown extensive pharmaceutical activities. This study aimed to investigate the underlying mechanism of antiosteoporosis (OP) action of OA by utilizing the network pharmacology approach and molecular docking methods. First, the targets of OA were identified using the GeneCards, Stitch, and Swisstarget databases, and the targets related to OP were mined using the NCBI, Genecards, and DisGeNet databases. The overlapped targets of OA and OP were regarded as candidate targets, and the String database was used to obtain the protein− protein interactions among the targets. Then, Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) metabolic pathway enrichment pathways of the candidate targets were performed using the DAVID database. In addition, the top 16 targets in the protein interaction network were used for molecular docking. Finally, an animal model constructed using D-galactose-induced oxidative stress and a low-calcium diet with accelerated bone loss was used to verify the in vivo effects of OA on osteoporotic mice. A total of 42 candidate targets for OA to treat OP were obtained. According to the protein−protein interaction network, MAPK1 showed the highest connectivity with other proteins. Additionally, GO analysis identified the top 20 biological processes, 9 cellular components, and top 20 molecular functions. Moreover, the candidate targets were mainly involved in 13 signaling pathways such as TNF signaling pathway, insulin resistance, MAPK signaling pathway, apoptosis, and PI3K-Akt signaling pathways. Furthermore, molecular docking revealed that OA has a high degree of connections with 16 key proteins. In addition, the anti-OP effects of OA are further validated through the in vivo model. Altogether, our study elucidated the candidate targets for OA to alleviate OP, explored the protein−protein interactions and related signaling pathways of the targets, and validated the anti-OP effects of OA. It could provide a better understanding of the action mechanism in OA to treat OP.

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Elucidation of the Mechanisms and Molecular Targets of Shuanglian Decoction for the Treatment of Hepatocellular Carcinoma Based on Network Pharmacology

Cited by 5 publications

References 33 publications

Study on the Mechanism of the Danggui–Chuanxiong Herb Pair on Treating Thrombus through Network Pharmacology and Zebrafish Models

Study on the Mechanism of the Danggui–Chuanxiong Herb Pair on Treating Thrombus through Network Pharmacology and Zebrafish Models

Exploring the mechanism of ellagic acid against gastric cancer based on bioinformatics analysis and network pharmacology

Network Pharmacology-Based Analysis on the Action Mechanism of Oleanolic Acid to Alleviate Osteoporosis

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