摘要
目的运用网络药理学与分子对接的的方法探讨龙葵治疗前列腺癌的潜在作用靶点以及可能存在的具体机制。方法应用中药系统药理学分析平台(traditional Chinese medicine systems pharmacology database and analysis platform,TCMSP)根据口服生物利用度(oral bioavailability,OB)和类药性(drug-like properties,DL)对龙葵的活性成分和相应作用靶点进行筛选;应用GeneCards、OMIM数据库筛选前列腺癌的靶点,应用R语言软件筛选龙葵与前列腺癌疾病共同靶点;应用Cytoscape 3.7.2软件构建“药物—活性成分—疾病—靶点”网络图;应用STRING数据库绘制共同靶点蛋白互作网络;应用R语言软件对有效作用靶点进行GO功能、KEGG通路富集分析,最后进行分子对接验证。结果龙葵中所筛选出来的化合物成分都能跟疾病的mTOR、CASP9、CASP8、PARP1靶点蛋白对接成功。对接结果显示:龙葵中所包含的diosgenin化合物与mTOR、CASP9、CASP8、PARP1靶点蛋白的结合程度高于龙葵内的其他化合物。结论龙葵中的化合物成分可能作用于前列腺癌疾病的多个靶点,通过参与免疫反应,诱导癌症细胞凋亡,逆转癌细胞多重耐药性并使癌细胞对化学疗法更加敏感等多种机制发挥抗癌作用,因此龙葵在治疗前列腺癌疾病方面有着重要的作用。
Objective To explore the potential targets and possible specific mechanisms of Solanum nigrum in the treatment of prostate cancer by means of network pharmacology and molecular docking.Methods The traditional Chinese medicine system pharmacology analysis platform(TCMSP)was used to screen the active components and corresponding targets of Solanum nigrum according to oral bioavailability(OB)and drug-like properties(DL);GeneCards and OMIM databases were used to screen the targets of prostate cancer,using R language software to screen the common targets of Solanum nigrum and prostate cancer diseases;using Cytoscape 3.7.2 software to construct a“drug-active ingredient-diseasE-target”network diagram;using the STRING database to draw a common target protein interaction network(PPI);R language software was used to analyze the GO function and KEGG pathway enrichment of the effective targets,and finally the molecular docking verification was carried out.Results The compounds screened out of Solanum nigrum can be successfully docked with the target proteins of MTOR,CASP9,CASP8 and PARP1 in the disease.The docking results showed that the diosgenin compounds contained in nightshade had higher binding degree to the target proteins of MTOR,CASP9,CASP8 and PARP1 than other compounds in nightshade.Conclusion The compounds in Solanum nigrum may act on multiple targets of prostate cancer disease by participating in immune responses,inducing cancer cell apoptosis,reversing cancer cell multidrug resistance and making cancer cells more sensitive to chemotherapy.It has anti-cancer effection,so nightshade plays an important role in the treatment of prostate cancer.
作者
司红梅
于旭东
商建伟
宋连英
张耀圣
SI Hongmei;YU Xudong;SHANG Jianwei;SONG Lianying;ZHANG Yaosheng(Dongzhimen Hospital of Beijing University of Chinese Medicine,Beijing 100700,China)
出处
《环球中医药》
CAS
2023年第4期668-677,共10页
Global Traditional Chinese Medicine
基金
北京中医药“薪火传承3+3工程”——基于“肾藏精”、“肾主水”理论探讨补肾经方的临床疗效及机制研究(XS1619070048—HR18016170)。
关键词
网络药理学
龙葵
前列腺癌
分子对接
潜在机制
Network pharmacology
Solanum Nigrum Linn
Prostate cancer
Molecular docking
Potential mechanism
