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دسته بندی:
داده کاوی - data mining
سال انتشار:
2018
عنوان انگلیسی مقاله:
Identification of quality markers of Yuanhu Zhitong tablets based on integrative pharmacology and data mining
ترجمه فارسی عنوان مقاله:
شناسایی نشانگرهای کیفی قرص Yuanhu Zhitong بر اساس انتگرال فارماکولوژی و داده کاوی
منبع:
Sciencedirect - Elsevier - Phytomedicine,Corrected proof,doi:10:1016/j:phymed:2018:03:002
نویسنده:
Li Kea,1, Li Junfangb,c,1, Su Jinb,1, Xiao Xuefengc, Peng Xiujuand, Liu Fengd, Li Defengb, Zhang Yib, Chong Taof, Xu Haiyub,d,⁎, Liu Changxiaod,e,⁎, Yang Hongjunb
چکیده انگلیسی:
The quality evaluation of traditional Chinese medicine (TCM) formulations is needed to guarantee
the safety and efficacy. In our laboratory, we established interaction rules between chemical quality control and
biological activity evaluations to study Yuanhu Zhitong tablets (YZTs). Moreover, a quality marker (Q-marker)
has recently been proposed as a new concept in the quality control of TCM. However, no appropriate methods
are available for the identification of Q-markers from the complex TCM systems.
Purpose: We aimed to use an integrative pharmacological (IP) approach to further identify Q-markers from YZTs
through the integration of multidisciplinary knowledge. In addition, data mining was used to determine the
correlation between multiple constituents of this TCM and its bioactivity to improve quality control.
Methods: The IP approach was used to identify the active constituents of YZTs and elucidate the molecular
mechanisms by integrating chemical and biosynthetic analyses, drug metabolism, and network pharmacology.
Data mining methods including grey relational analysis (GRA) and least squares support vector machine (LSSVM) regression techniques, were used to establish the correlations among the constituents and efficacy, and
dose efficacy in multiple dimensions.
Results: Seven constituents (tetrahydropalmatine, α-allocryptopine, protopine, corydaline, imperatorin, isoimperatorin, and byakangelicin) were identified as Q-markers of YZT using IP based on their high abundance,
specific presence in the individual herbal constituents and the product, appropriate drug-like properties, and
critical contribution to the bioactivity of the mixture of YZT constituents. Moreover, three Q-markers (protopine,
α-allocryptopine, and corydaline) were highly correlated with the multiple bioactivities of the YZTs, as found
using data mining. Finally, three constituents (tetrahydropalmatine, corydaline, and imperatorin) were chosen
as minimum combinations that both distinguished the authentic components from false products and indicated
the intensity of bioactivity to improve the quality control of YZTs.
Conclusions: Tetrahydropalmatine, imperatorin, and corydaline could be used as minimum combinations to
effectively control the quality of YZTs.
Keywords: Yuanhu Zhitong tablet ، Quality evaluation ، Least squares support vector machine ، Vasorelaxation bioactivity ، Quality markers
قیمت: رایگان
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