基于网络药理学方法探讨板蓝根颗粒治疗上呼吸道感染作用机制
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摘要
目的 :对板蓝根颗粒进行网络药理学的研究,阐明其药效物质基础,进一步探索其药效成分的潜在靶标。方法 :采用包括口服可利用度预测、类药性评估、主成分分析、分子对接模拟以及药效分子-靶标网络的分析等方法于一体的网络药理学模型,研究板蓝根颗粒所含中药组分。结果 :18个主要药效分子与45个治疗上呼吸道感染的靶标具有高网络度,且分子对接计算得出10个关键药效分子与靶标具有较强的结合能,推断其"多组分-多靶点"的方式来发挥治疗上呼吸道感染的作用。结论 :借助网络药理学技术可初步明确板蓝根颗粒治疗上呼吸道感染的药效物质基础及其潜在的分子作用机制。
Objective :To conduct computing network pharmacological studies on BanlangenGranules,explore its active ingredients in the treatment of upper respiratory tract infections,and further clarify the potential target for its efficacy. Methods :Oral bioavailability analysis,druggability analysis,principal component analysis,molecular docking and network analysis were applied to study pharmacological properties of compounds of Banlangen Granules on upper respiratory tract infections.Results :18 principal compounds had high network degree with 45 targets treating upper respiratory tract infections;10 key ingredients and certain special protein had close interactions. Network analysis showed that Banlangen Granules played a significant role in treating upper respiratory tract infections based on the synergistic effect of 10 active ingredients. Conclusion :The method of network pharmacological studies is helpful to explore possible active molecules in Banlangen Granules and elucidate the mechanism of action.
Objective :To conduct computing network pharmacological studies on BanlangenGranules,explore its active ingredients in the treatment of upper respiratory tract infections,and further clarify the potential target for its efficacy. Methods :Oral bioavailability analysis,druggability analysis,principal component analysis,molecular docking and network analysis were applied to study pharmacological properties of compounds of Banlangen Granules on upper respiratory tract infections.Results :18 principal compounds had high network degree with 45 targets treating upper respiratory tract infections;10 key ingredients and certain special protein had close interactions. Network analysis showed that Banlangen Granules played a significant role in treating upper respiratory tract infections based on the synergistic effect of 10 active ingredients. Conclusion :The method of network pharmacological studies is helpful to explore possible active molecules in Banlangen Granules and elucidate the mechanism of action.
引文
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[2]王永华,杨凌.基于系统药理学的现代中药研究体系[J].世界中医药,2013,8(7):801-808.
[3]Azmi AS,Mohammad RM.Rectifying cancer drug discovery through network pharmacology[J].Future Med Chem,2014,6:529-539.
[4]Peter S Morris.Epidemiology of viral respiratory infections[J].Am J Med,2002,112(6A):101-117.
[5]Peter S Morris.Upper respiratory tract infections(including otitis media)[J].Pediatr Clin North Am,2009,56(1):101-117.
[6]肖飞,陈桦,李其凤,等.抗病毒分散片质量标准研究[J].中国药业,2012,21(21):25-27.
[7]张博,王建雷,杜会龙,等.组分板蓝根药材的研究[J].中国药业,2013,22(19):23-24.
[8]朱文灯,张倩,吴翠,等.HPLC法测定板蓝根颗粒中RS-告伊春的含量[J].中国医药指南,2015,13(6):51-52.
[9]马莉,孙琴,李友,等.HPLC法测定板蓝根药材及制剂中靛蓝和靛玉红含量[J].药物分析杂志,2010,30(9):1642-1645.
[10]吴晓玲,周向东.气道黏液高分泌的信号传导通路[J].基础医学与临床,2008,28(11):1142.
[11]温建立,李琪,周向东.JNK1/2-AP1信号转导通路对PM2.5所致气道粘液高分泌的介导作用[J].中国医科大学学报,2013,42(1):23-27.
[12]李洁,莫碧文,毛雨红,等.间充质干细胞在哮喘大鼠气道炎症及气道重塑中的作用[J].安徽医科大学学报,2014,49(11):1549-1552.
[13]Chan H-L,Yip H-Y,Mak N-K,et al.Modulatory effects and action mechanisms of tryptanthrin on murine myeloid leukemia cells[J].Cellular&Molecular Immunology,2009,6(5)335-342.
[14]Shin EK,Kim DH,Lim H,et al.The anti-inflammatory effects of a methanolic extract from Radix Isatidis in murine macrophages and mice[J].Inflammation,2010,33(2)110-118.