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基于网络药理学的方法研究宣桂滴丸治疗原发性痛经的镇痛效果及分子靶点

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

作者信息

Huang Jihan, Li Lei, Cheung Fan, Wang Ning, Li Yunfei, Fan Zhenyu, Yin Fang, Yang Juan, Gao Rui, He Yingchun, Feng Yibin

机构信息

Center for Drug Clinical Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.

School of Chinese Medicine, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Pokfulam, Hong Kong.

出版信息

Evid Based Complement Alternat Med. 2017;2017:7525179. doi: 10.1155/2017/7525179. Epub 2017 Oct 8.

Abstract

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 ( < 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.

摘要

本研究旨在通过网络药理学方法评估消痛滴丸(XGDP)治疗原发性痛经(PD)的临床镇痛效果并确定其分子靶点。基于II期和III期随机、双盲、双模拟、阳性平行对照临床试验的数据,对XGDP在PD治疗中的疼痛消失率进行分析。通过吸收、分布、代谢和排泄过程获得生物活性化合物,并对其口服生物利用度(OB)和类药性(DL)进行评估。随后,采用靶点预测、通路识别和网络构建来阐明XGDP对PD镇痛作用的机制。XGDP治疗PD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%,与使用痛经宝颗粒(TJBG)的对照组相比有显著差异(<0.05)。在331种化合物中,通过OB、DL和靶点预测,确定XGDP中的53种化合物为与PD相关的活性化合物。确定了XGDP的活性化合物和分子靶点,我们的研究表明,XGDP可能通过调节与抗炎镇痛和中枢镇痛相关的靶点以及缓解平滑肌收缩来发挥对PD的治疗作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e16/5651156/587392a6edb2/ECAM2017-7525179.001.jpg

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