目的:通过网络药理学及分子对接技术探究白芷-补骨脂-乌梅治疗白癜风-高尿酸血症的作用机制。方法:通用中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、...目的:通过网络药理学及分子对接技术探究白芷-补骨脂-乌梅治疗白癜风-高尿酸血症的作用机制。方法:通用中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、中医药综合数据库(Traditional Chinese Medicine Integrative Database,TCMID)、本草组鉴(A high-throughput experiment-and reference-guided database of traditional Chinese medicine,HERB)等数据库检索白芷-补骨脂-乌梅的主要活性成分以及相关靶点,采用通用蛋白质资源数据库(Universal Protein Resourse,UniProt)进行靶点蛋白与基因名的转换。在基因卡片(The Human Gene Database,GeneCards)、在线人类孟德尔遗传数据库(Online Mendelian Inheritance in Man,OMIM)及疾病基因网络数据库(Disease Gene Network,Disgenet)检索白癜风和高尿酸血症相关靶点,借助韦恩图查找白芷-补骨脂-乌梅与白癜风-高尿酸血症相关联的核心靶点基因,对核心靶点基因进行蛋白质-蛋白质相互作用(proteinprotein interatction,PPI)网络分析、基因本体(gene ontology,GO)功能注释和京都基因与基因组数据库(Kyoto Encyclopedia of Genes and Genomes,KEGG)通路富集分析。采用AutoDock 1.5.7版进行分子对接,并应用PyMOL分子图形系统(PyMOL Molecular Graphics System,PyMOL)2.5.2软件对对接结果进行可视化分析。结果:通过网络药理学筛选获得白芷-补骨脂-乌梅有效成分47种,关键靶点基因50个,其中以槲皮素(quercetin)、山柰酚(kaempferol)等为重要活性成分,以肿瘤坏死因子(tumor necrosis factor,TNF)、白细胞介素-6(interleukin-6,IL-6)、白细胞介素-1β(interleukin-1β,IL-1β)等靶点作用较为突出。KEGG通路富集分析结果提示白芷-补骨脂-乌梅药对可能通过调节晚期糖基化终末产物-晚期糖基化终末产物受体(advanced glycation end products-receptor for advanced glycation end products,AGE-RAGE)信号通路、病毒感染信号通路等发挥治疗作用。分子对接结果显示槲皮素、山柰酚等活性成分与TNF、IL-6、IL-1β等核心靶点之间的结合力较稳定。结论:白芷-补骨脂-乌梅药对能够从多基因、多靶点、多途径治疗白癜风-高尿酸血症,为进一步的临床药物研究和治疗途径提供了数据支持。展开更多
Vitiligo is not only a cosmetic problem,but also a social and psychological problem with the prevalence rate between 1–2%and being highest in India.As far as etiopathogenesis of the disease is concerned,out of variou...Vitiligo is not only a cosmetic problem,but also a social and psychological problem with the prevalence rate between 1–2%and being highest in India.As far as etiopathogenesis of the disease is concerned,out of various theories put forward,some accepted hypothesis is the autoimmune destruction of melanocytes,melanocytes adhesion,neurogenic damage,auto-toxicity.Disease is mainly classified in two forms i.e.segmental vitiligo and non-segmental vitiligo.Treatment of this disease is usually cumbersome and time taking,causing significant impact on quality of life.Moreover,modern treatment is only suppressive but not curative.Medicinal plants are the base of many traditional medicine systems throughout the world for thousands of years and continue to provide new remedies to mankind.If used appropriately,they are comparatively more effective,less toxic and easily available at affordable prices.Detailed management consisting of single herbs and compound formulations along with other regimes has been mentioned to treat this disease in the classical Unani literature which is safe and effective.Aim of this paper was to delineate the vitiligo disease and search for evidence in the management of the disease through Unani and herbal medicines.展开更多
文摘目的:通过网络药理学及分子对接技术探究白芷-补骨脂-乌梅治疗白癜风-高尿酸血症的作用机制。方法:通用中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、中医药综合数据库(Traditional Chinese Medicine Integrative Database,TCMID)、本草组鉴(A high-throughput experiment-and reference-guided database of traditional Chinese medicine,HERB)等数据库检索白芷-补骨脂-乌梅的主要活性成分以及相关靶点,采用通用蛋白质资源数据库(Universal Protein Resourse,UniProt)进行靶点蛋白与基因名的转换。在基因卡片(The Human Gene Database,GeneCards)、在线人类孟德尔遗传数据库(Online Mendelian Inheritance in Man,OMIM)及疾病基因网络数据库(Disease Gene Network,Disgenet)检索白癜风和高尿酸血症相关靶点,借助韦恩图查找白芷-补骨脂-乌梅与白癜风-高尿酸血症相关联的核心靶点基因,对核心靶点基因进行蛋白质-蛋白质相互作用(proteinprotein interatction,PPI)网络分析、基因本体(gene ontology,GO)功能注释和京都基因与基因组数据库(Kyoto Encyclopedia of Genes and Genomes,KEGG)通路富集分析。采用AutoDock 1.5.7版进行分子对接,并应用PyMOL分子图形系统(PyMOL Molecular Graphics System,PyMOL)2.5.2软件对对接结果进行可视化分析。结果:通过网络药理学筛选获得白芷-补骨脂-乌梅有效成分47种,关键靶点基因50个,其中以槲皮素(quercetin)、山柰酚(kaempferol)等为重要活性成分,以肿瘤坏死因子(tumor necrosis factor,TNF)、白细胞介素-6(interleukin-6,IL-6)、白细胞介素-1β(interleukin-1β,IL-1β)等靶点作用较为突出。KEGG通路富集分析结果提示白芷-补骨脂-乌梅药对可能通过调节晚期糖基化终末产物-晚期糖基化终末产物受体(advanced glycation end products-receptor for advanced glycation end products,AGE-RAGE)信号通路、病毒感染信号通路等发挥治疗作用。分子对接结果显示槲皮素、山柰酚等活性成分与TNF、IL-6、IL-1β等核心靶点之间的结合力较稳定。结论:白芷-补骨脂-乌梅药对能够从多基因、多靶点、多途径治疗白癜风-高尿酸血症,为进一步的临床药物研究和治疗途径提供了数据支持。
文摘Vitiligo is not only a cosmetic problem,but also a social and psychological problem with the prevalence rate between 1–2%and being highest in India.As far as etiopathogenesis of the disease is concerned,out of various theories put forward,some accepted hypothesis is the autoimmune destruction of melanocytes,melanocytes adhesion,neurogenic damage,auto-toxicity.Disease is mainly classified in two forms i.e.segmental vitiligo and non-segmental vitiligo.Treatment of this disease is usually cumbersome and time taking,causing significant impact on quality of life.Moreover,modern treatment is only suppressive but not curative.Medicinal plants are the base of many traditional medicine systems throughout the world for thousands of years and continue to provide new remedies to mankind.If used appropriately,they are comparatively more effective,less toxic and easily available at affordable prices.Detailed management consisting of single herbs and compound formulations along with other regimes has been mentioned to treat this disease in the classical Unani literature which is safe and effective.Aim of this paper was to delineate the vitiligo disease and search for evidence in the management of the disease through Unani and herbal medicines.
