Chaoyuan Huang, Yimin Cheng, Wei Li, Yuancheng Huang, Hu Luo, Chong Zhong, Fengbin Liu
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Finally, molecular docking was performed using Auto Dock Vina.</p><p><strong>Results: </strong>In the search for therapeutic targets, twenty active components of toad skin were screened for further study, five hundred and sixty-eight targets of components were identified. In the search for disease targets, three thousand two hundred and twenty-seven genes were identified after removal of duplicated genes, one hundred and fifty-nine genes were up-regulated in liver cancer samples while two hundred and seventy-eight were down-regulated in liver cancer patients. After predicting the therapeutic targets of the components, the results were cross-checked with the disease targets, thirteen up-regulated targets and ten down-regulated targets were obtained. Finally, in the results of molecular docking, seven targets (CDK1, AKR1B1, MMP12, AURKB, CHEK1, AURKA, TTK) were potential up-regulated targets, three targets (SHBG, SRD5A2, NR1I2) were potential down-regulated targets, all of which have the best binding energy and molecular interactions.</p><p><strong>Conclusion: </strong>CDK1, AKR1B1, MMP12, AURKB, CHEK1, AURKA, and TTK could be potential upregulated target proteins of Huachansu injection for treating liver cancer. The mechanism of Huachansu injection in the treatment of liver cancer through these up-regulated targets is related to cell cycle, cellular senescence, viral carcinogenesis, p53 signaling pathway. SHBG, SRD5A2, and NR1I2 could be potential down-regulated target proteins of Huachansu injection in treating liver cancer.</p>","PeriodicalId":20774,"journal":{"name":"Recent patents on anti-cancer drug discovery","volume":null,"pages":null},"PeriodicalIF":2.5000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Examining the Mechanisms of Huachansu Injection on Liver Cancer through Integrated Bioinformatics Analysis.\",\"authors\":\"Chaoyuan Huang, Yimin Cheng, Wei Li, Yuancheng Huang, Hu Luo, Chong Zhong, Fengbin Liu\",\"doi\":\"10.2174/1574892817666220511162046\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Objective: </strong>The objective of this study is to explore the potential anti-liver cancer mechanism of Huachansu injection through integrated bioinformatics analysis.</p><p><strong>Methods: </strong>Active ingredients of Huachansu injection (extraction of toad skin) were obtained, and their potential drug targets were predicted via SwissTargetPrediction database. 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引用次数: 3
摘要
目的:通过综合生物信息学分析，探讨花血素注射液抗肝癌的潜在作用机制。方法:提取花蟾素注射液(蟾蜍皮提取物)的有效成分，并通过SwissTargetPrediction数据库预测其潜在的药物靶点。从GEO (Gene Expression Omnibus)数据集和四个公共数据库中确定肝癌疾病靶点。然后构建蟾蜍皮肤蛋白-蛋白相互作用(PPI)网络。随后进行GO (Gene Ontology)富集分析和KEGG (Kyoto Encyclopedia of Genes and Genomes)富集分析。最后，利用Auto Dock Vina进行分子对接。结果:在寻找治疗靶点方面，筛选出20种蟾蜍皮有效成分，鉴定出568个靶点。在寻找疾病靶点的过程中，在去除重复基因后，确定了三千二百二十七个基因，其中肝癌样本中有一百五十九个基因上调，而肝癌患者中有二百七十八个基因下调。预测各组分的治疗靶点后，与疾病靶点进行交叉比对，得到13个上调靶点和10个下调靶点。最后，在分子对接结果中，7个靶点(CDK1、AKR1B1、MMP12、AURKB、CHEK1、AURKA、TTK)为潜在上调靶点，3个靶点(SHBG、SRD5A2、NR1I2)为潜在下调靶点，它们都具有最佳的结合能和分子相互作用。结论:CDK1、AKR1B1、MMP12、AURKB、CHEK1、AURKA、TTK可能是花血素注射液治疗肝癌的潜在上调靶蛋白。花血素注射液通过这些上调靶点治疗肝癌的机制与细胞周期、细胞衰老、病毒癌变、p53信号通路有关。SHBG、SRD5A2、NR1I2可能是花血素注射液治疗肝癌的潜在下调靶蛋白。
Examining the Mechanisms of Huachansu Injection on Liver Cancer through Integrated Bioinformatics Analysis.
Objective: The objective of this study is to explore the potential anti-liver cancer mechanism of Huachansu injection through integrated bioinformatics analysis.
Methods: Active ingredients of Huachansu injection (extraction of toad skin) were obtained, and their potential drug targets were predicted via SwissTargetPrediction database. Liver cancer disease targets were identified from the GEO (Gene Expression Omnibus) dataset and four public databases. Then Protein-Protein Interaction (PPI) network of toad skin was constructed. GO (Gene Ontology) enrichment analysis and KEGG (Kyoto Encyclopedia of Genes and Genomes) enrichment analysis were performed subsequently. Finally, molecular docking was performed using Auto Dock Vina.
Results: In the search for therapeutic targets, twenty active components of toad skin were screened for further study, five hundred and sixty-eight targets of components were identified. In the search for disease targets, three thousand two hundred and twenty-seven genes were identified after removal of duplicated genes, one hundred and fifty-nine genes were up-regulated in liver cancer samples while two hundred and seventy-eight were down-regulated in liver cancer patients. After predicting the therapeutic targets of the components, the results were cross-checked with the disease targets, thirteen up-regulated targets and ten down-regulated targets were obtained. Finally, in the results of molecular docking, seven targets (CDK1, AKR1B1, MMP12, AURKB, CHEK1, AURKA, TTK) were potential up-regulated targets, three targets (SHBG, SRD5A2, NR1I2) were potential down-regulated targets, all of which have the best binding energy and molecular interactions.
Conclusion: CDK1, AKR1B1, MMP12, AURKB, CHEK1, AURKA, and TTK could be potential upregulated target proteins of Huachansu injection for treating liver cancer. The mechanism of Huachansu injection in the treatment of liver cancer through these up-regulated targets is related to cell cycle, cellular senescence, viral carcinogenesis, p53 signaling pathway. SHBG, SRD5A2, and NR1I2 could be potential down-regulated target proteins of Huachansu injection in treating liver cancer.
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Aims & Scope
Recent Patents on Anti-Cancer Drug Discovery publishes review and research articles that reflect or deal with studies in relation to a patent, application of reported patents in a study, discussion of comparison of results regarding application of a given patent, etc., and also guest edited thematic issues on recent patents in the field of anti-cancer drug discovery e.g. on novel bioactive compounds, analogs, targets & predictive biomarkers & drug efficacy biomarkers. The journal also publishes book reviews of eBooks and books on anti-cancer drug discovery. A selection of important and recent patents on anti-cancer drug discovery is also included in the journal. The journal is essential reading for all researchers involved in anti-cancer drug design and discovery. The journal also covers recent research (where patents have been registered) in fast emerging therapeutic areas/targets & therapeutic agents related to anti-cancer drug discovery.
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