SUN Yue,FENG Jiaxin,HE Xu,et al.Study on the mechanism of Euphorbia fischeriana in the treatment of lung cancer using network pharmacology and molecular docking technology[J].Journal of Yanbian University,2023,(02):175-182.
基于网络药理学和分子对接技术探讨狼毒大戟治疗肺癌的作用机制
- Title:
- Study on the mechanism of Euphorbia fischeriana in the treatment of lung cancer using network pharmacology and molecular docking technology
- Keywords:
- Euphorbia fischeriana; network pharmacology; molecular docking; lung cancer; target; acting mechanisms
- 分类号:
- R963
- 文献标志码:
- A
- 摘要:
- 为了探究狼毒大戟治疗肺癌的作用机制,采用网络药理学和分子对接技术预测了狼毒大戟治疗肺癌的潜在靶点及其作用机制.研究结果显示:狼毒大戟治疗肺癌的核心活性成分可能是araucarone、ent-(13S)-hydroxy-16-atisene-3,14-dione、ent-3β-(13S)-dihydroxyatis-16-en-14-one、ent-(13S)-13-hydroxyatis-16-ene-3,14-dione、caudicifolin等;作用靶点可能为肿瘤蛋白53(TP53)、肿瘤坏死因子(
- Abstract:
- In order to further explore the mechanism of Euphorbia fischeriana in the treatment of lung cancer, the network pharmacology and molecular docking technology were used to predict the potential targets and mechanisms of Euphorbia fischeriana against lung cancer.The results show that the core active components of Euphorbia fischeriana in the treatment of lung cancer may be araucarone, ent-13S-hydroxy-16-atisene-3,14- dione, ent-3β-(13S)-dihydroxyatis-16-en-14-one, ent-(13S)-13-hydroxyatis-16-ene-3,14-dione, caudicifolin and their action targets may be tumor protein 53(TP53), tumor necrosis factor (TNF), epidermal growth factor receptor(EGFR), signal transducer and activator of transcription 3(STAT3), mitogen-activated protein kinase 3 (MAPK3), etc.The biologically possible processes mainly include protein phosphorylation, response to hormones, and positive regulation of cell migration.Relevant signal pathways include cancer pathways, the expression of proteoglycans in cancer, AGE-RAGE, and PI3K-Akt.The binding energy of core active components to core target proteins is between -21.8 kJ/mol and -36.8 kJ/mol, implied with a good binding effect. The research results can provide theoretical reference for the application of Euphorbia fischeriana in the treatment of lung cancer.
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备注/Memo
收稿日期: 2023 01 05
基金项目: 吉林省科技发展计划项目(YDZJ202201ZYTS186);吉林省第十九批创新创业人才资助项目(2023QN34)
第一作者: 孙悦(1998—),女,硕士研究生,研究方向为中药药效物质分析.
通信作者: 臧皓(1984—),男,博士,教授,研究方向为中药药效物质分析;金莉莉(1978—),女,博士,副教授,研究方向为中药现代化.