A new strategy for choosing "Q-markers" via network pharmacology, application to the quality control of a Chinese medical preparation.
A new strategy for choosing "Q-markers" via network pharmacology, application to the quality control of a Chinese medical preparation.
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网络药理学选择“Q标记”的新策略及其在中药制剂质量控制中的应用
DOI：
10.1016/j.jfda.2017.10.003
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发表时间：
2018-04
影响因子：
3.6
通讯作者：
Li, Zheng
中科院分区：
文献类型：
--
作者：
Xiang, Wei;Suo, Tong-Chuan;Yu, Hua;Li, An-Ping;Zhang, Shou-Qing;Wang, Chun-Hua;Zhu, Yan;Li, Zheng
中药制剂由于其化学性质的复杂性，其质量控制一直是一个巨大的挑战。选择合适的质量标记（q -marker）进行CMP的质量控制是一项重要的工作。最重要的是，所选择的q标记是来自草药的主要化合物以及该CMP的有效成分。只有这样，所建立的质量控制体系才能真正达到控制CMP质量，保证CMP安全有效使用的目的。为了达到这一目的，本研究采用了网络药理学结合中药中化合物含量的方法。我们以抗心律失常中药参仙生脉口服液（SSOL）为例。首先，采用UPLC-QTOF-MS/MS方法对SSOL的主要成分进行分析。共有64个化合物得到明确或初步鉴定，其中32个化合物通过参比化合物进一步验证。其次，基于识别出的化合物构建网络，预测与心律失常相关的有效化合物；基于现有数据库和拓扑操作方法，提出双网络分析（DNAA）方法，从中筛选出心律失常通路中的10个重要靶点，筛选出26个具有良好抗心律失常活性的化合物。根据网络药理学预测结果及该药材中化合物的含量，选择10个具有代表性的化合物作为SSOL质量控制的q标记物。研究发现，丹参素、迷迭香酸、丹酚酸A、淫羊藿苷A和淫羊藿苷等5种化合物具有抗心律失常活性。然后，建立UPLC-DAD法作为SSOL的控制方法。
Due to its chemical complexity, proper quality control for a Chinese medical preparation (CMP) has been a great challenge. Choosing the appropriate quality markers (Q-markers) for quality control of CMP is an important work. Best of all, the chosen Q-markers are the main chemical compounds from the herbals as well as the active constituents of this CMP. Only in this way the established quality control system can really achieve the purpose of controlling the quality of CMP and ensuring the safely and effectively use of CMP. To achieve the purpose, network pharmacology combined with the contents of chemical compounds in the CMP has been used in this research. We took an anti-arrhythmic CMP, Shenxian-Shengmai oral liquid (SSOL), as an example. Firstly, UPLC-QTOF-MS/MS method was used to analyze the main components of SSOL. A total of 64 compounds were unambiguously or tentatively identified and 32 of them were further validated by reference compounds. Secondly, the network was constructed based on the identified compounds to predict the effective compounds related to cardiac arrhythmias. Based on the existing database and the operation method of topology, a method of double network analysis (DNAA) was proposed, from which 10 important targets in the pathway of arrhythmia were screened out, and 26 compounds had good antiarrhythmic activity. Based on the prediction results of network pharmacology along with the contents of the compounds in this CMP, ten representative compounds were chosen as the Q-markers for the quality control of SSOL. We find that five of these ten compounds, including danshensu, rosmarinic acid, salvianolic acid A, epimedin A and icariin, have antiarrhythmic activity. Then, the UPLC-DAD method was established as the control method for SSOL.
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影响因子：
14.9
作者：
Keshava Prasad TS;Goel R;Kandasamy K;Keerthikumar S;Kumar S;Mathivanan S;Telikicherla D;Raju R;Shafreen B;Venugopal A;Balakrishnan L;Marimuthu A;Banerjee S;Somanathan DS;Sebastian A;Rani S;Ray S;Harrys Kishore CJ;Kanth S;Ahmed M;Kashyap MK;Mohmood R;Ramachandra YL;Krishna V;Rahiman BA;Mohan S;Ranganathan P;Ramabadran S;Chaerkady R;Pandey A
通讯作者：
Pandey A
DOI：
10.1016/j.jpba.2017.05.026
发表时间：
2017-09-05
影响因子：
3.4
作者：
Paul, David;Allakonda, Lingesh;Satheeshkumar, Nanjappan
通讯作者：
Satheeshkumar, Nanjappan
影响因子：
3.6
作者：
Wu, Dan;He, Jirui;Jiang, Yueming;Yang, Bao
通讯作者：
Yang, Bao
影响因子：
4.1
作者：
Liu, Ai-Hua;Guo, Hui;Guo, De-An
通讯作者：
Guo, De-An
DOI：
10.1016/j.jpba.2009.09.033
发表时间：
2010-02-05
影响因子：
3.4
作者：
Wang, Yaqin;Guo, Zhimou;Liang, Xinmiao
通讯作者：
Liang, Xinmiao