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Network Pharmacology-Based Approach to Investigate the Analgesic Efficacy and Molecular Targets of Xuangui Dropping Pill for Treating Primary Dysmenorrhea

机译:基于网络药理学的方法,探讨Xuangui滴丸治疗原发性痛经的镇痛疗效和分子靶标

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摘要

This study aimed to evaluate the clinical analgesic efficacy and identify the molecular targets of XGDP for treating primary dysmenorrhea (PD) by a network pharmacology approach. Analysis of pain disappearance rate of XGDP in PD treatment was conducted based on data from phase II and III randomized, double-blind, double-simulation, and positive parallel controlled clinical trials. The bioactive compounds were obtained by the absorption, distribution, metabolism, and excretion processes with oral bioavailability (OB) and drug-likeness (DL) evaluation. Subsequently, target prediction, pathway identification, and network construction were employed to clarify the mechanisms of the analgesic effect of XGDP on PD. The pain disappearance rates in phase II and III clinical trials of XGDP in PD treatment were 62.5% and 55.8%, respectively, yielding a significant difference (P < 0.05) when compared with the control group using Tongjingbao granules (TJBG). Among 331 compounds, 53 compounds in XGDP were identified as the active compounds related to PD through OB, DL, and target prediction. The active compounds and molecular targets of XGDP were identified, and our study showed that XGDP may exert its therapeutic effects on PD through the regulation of the targets related to anti-inflammation analgesia and central analgesia and relieving smooth muscle contraction.
机译:本研究旨在评估临床镇痛效果,并通过网络药理学方法鉴定XGDP的分子靶标。基于来自II期和III期随机,双盲,双模和阳性并行对照临床试验的数据进行了PD治疗中XGDP疼痛消失率的分析。通过具有口服生物利用度(OB)和药物象征性(DL)评估的吸收,分布,代谢和排泄过程获得生物活性化合物。随后,采用靶预测,途径识别和网络结构来阐明XGDP对Pd的镇痛作用的机制。在Pd治疗中XGDP的II期和III期临床试验中的疼痛消失率分别为62.5%和55.8%,与使用通京宝颗粒(TJBG)相比,与对照组相比,产生显着差异(P <0.05)。在331个化合物中,XGDP中的53种化合物被鉴定为与PD通过OB,DL和靶预测有关的活性化合物。鉴定了XGDP的活性化合物和分子靶点,我们的研究表明,XGDP可以通过调节与抗炎镇痛和中枢镇痛有关的靶标并缓解平滑肌收缩来对PD发挥其治疗作用。

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    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    Univ Hong Kong Li Ka Shing Fac Med Sch Chinese Med Hong Kong Hong Kong Peoples R China;

    Univ Hong Kong Li Ka Shing Fac Med Sch Chinese Med Hong Kong Hong Kong Peoples R China;

    Univ Hong Kong Li Ka Shing Fac Med Sch Chinese Med Hong Kong Hong Kong Peoples R China;

    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    China Acad Chinese Med Sci Xiyuan Hosp Beijing 100091 Peoples R China;

    Shanghai Univ Tradit Chinese Med Ctr Drug Clin Res Shanghai 201203 Peoples R China;

    Univ Hong Kong Li Ka Shing Fac Med Sch Chinese Med Hong Kong Hong Kong Peoples R China;

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  • 正文语种 eng
  • 中图分类 临床医学;
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