桂枝茯苓方治疗痛经、盆腔炎以及子宫肌瘤的活性成分和分子作用机制研究(1)
[摘要]该研究采用网络药理学的方法，探讨桂枝茯苓方治疗痛经、盆腔炎以及子宫肌瘤的主要活性成分和潜在的分子作用机制。药物-靶点网络特征分析显示分子网络度较高的多为甾醇类和五环三萜类化合物，它们在抗炎、解热镇痛、抗肿瘤以及免疫调节等方面具有较好的治疗作用;另一方面网络度较高的靶点多与炎症反应、凝血系统、血管形成、平滑肌收缩以及细胞增殖等环节有关。进一步的靶点-通路网络分析结果显示这些靶点与调控子宫平滑肌增殖、抑制子宫内新生血管形成、改善血液循环、降低性激素分泌、缓解子宫平滑肌收缩、抑制花生四烯酸代谢以及其他炎症反应等6个环节密切相关，从而揭示出其治疗痛经、盆腔炎以及子宫肌瘤的主要分子机制。该研究表明桂枝茯苓方可通过多个活性成分作用于多个靶点，调控21条生物通路，来治疗盆腔炎、痛经及子宫肌瘤。
[关键词]中药;网络药理学;分子对接;痛经;盆腔炎;子宫肌瘤
Study of effective components and molecular mechanism for Guizhi Fuling
, http://www.100md.com
formula treatment of dysmenorrhea， pelvic inflammatory
disease and uterine fibroids
KE Zhi-peng1，2， ZHANG Xin-zhuang1，2， DING Yue1，2， CAO Ze-yu1，2， LI Na1，2， CAO Liang1，2， WANG Tuan-jie1，2，ZHANG Chen-feng1，2， DING Gang1，2， WANG Zhen-zhong1，2， XIAO Wei1，2*， XU Xiao-jie3*
(1.Jiangsu Kanion Pharmarceutical Co.， Ltd.， Lianyungang 222001， China;
2.State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process， Lianyungang 222001， China;
, http://www.100md.com
3.College of Chemistry and Molecular Engineering， Peking University， Beijing 100871， China)
[Abstract]In this study， the active components and potential molecular mechanism of Guizhi Fuling formula in treatment on dysmenorrhea， pelvic inflammation， and hysteromyoma were investigated using network pharmacological methods. Sterols and pentacyclic triterpenes， with high moleculal network degree， revealed promising effects on anti-inflammatory， analgesic， anti-tumor， and immuneregulation， according to D-T network analysis. On the other hand， the targets with high degree were involved in inflammatory， coagulation， angiopoiesis， smooth muscle contraction， and cell reproduction， which showed the novel function in anti-dysmenorrhea， pelvic inflammation， and hysteromyoma. Furthermore， the formula was indicated to play a key role in smooth muscle proliferation， inhibition of new vessels， circulation improvement， reduction of hormone secretion， alleviation of smooth muscle， block of arachidonic acid metabolism， and inflammation in uterus. Thus， the main mechanism of Guizhi Fuling formula was summarized. In conclusion， Guizhi Fuling formula was proven to alleviated dysmenorrhea， pelvic inflammation， and hysteromyoma by acting on multiple targets through several bioactive compounds， regulating 21 biological pathways.
, http://www.100md.com
[Key words]herb; network pharmacology; molecular docking; dysmenorrhea; pelvic inflammatory disease; uterine fibroids
doi：10.4268/cjcmm20150603
桂枝茯苓丸是中医学经典著作《金匮要略》中活血化瘀疗法的代表性方剂之一，该方由桂枝、茯苓、赤芍、牡丹皮、桃仁等5味药材组成，具有活血化瘀、缓消癥块之功效，中医主要用于妇人瘀血阻络所致癥块、经闭、痛经、产后恶露不尽，而现代医学主要用于痛经、盆腔炎和子宫肌瘤等妇科常见疾病，临床效果显著[1-3]。目前，对于桂枝茯苓方的主要活性成分和潜在的分子作用机制研究较少，本研究采用网络药理学方法[4]，研究桂枝茯苓方的主要活性成分和潜在的分子作用机制，为后续该品种的药效物质基础研究、质量控制提升以及作用机制的探索提供理论依据。, http://www.100md.com(柯志鹏 张新庄 丁玥 曹泽彧 李娜 曹亮 王团结 章晨峰 丁岗 王振中 萧伟 徐)
[关键词]中药;网络药理学;分子对接;痛经;盆腔炎;子宫肌瘤
Study of effective components and molecular mechanism for Guizhi Fuling
, http://www.100md.com
formula treatment of dysmenorrhea， pelvic inflammatory
disease and uterine fibroids
KE Zhi-peng1，2， ZHANG Xin-zhuang1，2， DING Yue1，2， CAO Ze-yu1，2， LI Na1，2， CAO Liang1，2， WANG Tuan-jie1，2，ZHANG Chen-feng1，2， DING Gang1，2， WANG Zhen-zhong1，2， XIAO Wei1，2*， XU Xiao-jie3*
(1.Jiangsu Kanion Pharmarceutical Co.， Ltd.， Lianyungang 222001， China;
2.State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process， Lianyungang 222001， China;
, http://www.100md.com
3.College of Chemistry and Molecular Engineering， Peking University， Beijing 100871， China)
[Abstract]In this study， the active components and potential molecular mechanism of Guizhi Fuling formula in treatment on dysmenorrhea， pelvic inflammation， and hysteromyoma were investigated using network pharmacological methods. Sterols and pentacyclic triterpenes， with high moleculal network degree， revealed promising effects on anti-inflammatory， analgesic， anti-tumor， and immuneregulation， according to D-T network analysis. On the other hand， the targets with high degree were involved in inflammatory， coagulation， angiopoiesis， smooth muscle contraction， and cell reproduction， which showed the novel function in anti-dysmenorrhea， pelvic inflammation， and hysteromyoma. Furthermore， the formula was indicated to play a key role in smooth muscle proliferation， inhibition of new vessels， circulation improvement， reduction of hormone secretion， alleviation of smooth muscle， block of arachidonic acid metabolism， and inflammation in uterus. Thus， the main mechanism of Guizhi Fuling formula was summarized. In conclusion， Guizhi Fuling formula was proven to alleviated dysmenorrhea， pelvic inflammation， and hysteromyoma by acting on multiple targets through several bioactive compounds， regulating 21 biological pathways.
, http://www.100md.com
[Key words]herb; network pharmacology; molecular docking; dysmenorrhea; pelvic inflammatory disease; uterine fibroids
doi：10.4268/cjcmm20150603
桂枝茯苓丸是中医学经典著作《金匮要略》中活血化瘀疗法的代表性方剂之一，该方由桂枝、茯苓、赤芍、牡丹皮、桃仁等5味药材组成，具有活血化瘀、缓消癥块之功效，中医主要用于妇人瘀血阻络所致癥块、经闭、痛经、产后恶露不尽，而现代医学主要用于痛经、盆腔炎和子宫肌瘤等妇科常见疾病，临床效果显著[1-3]。目前，对于桂枝茯苓方的主要活性成分和潜在的分子作用机制研究较少，本研究采用网络药理学方法[4]，研究桂枝茯苓方的主要活性成分和潜在的分子作用机制，为后续该品种的药效物质基础研究、质量控制提升以及作用机制的探索提供理论依据。, http://www.100md.com(柯志鹏 张新庄 丁玥 曹泽彧 李娜 曹亮 王团结 章晨峰 丁岗 王振中 萧伟 徐)