Abstract

 
 
 
 Purpose: To screen quality markers of Jie-Geng decoction (JGD) through multiple analytical methods and integration of network pharmacology and HPLC-ELSD fingerprint.
 Methods: Network pharmacology was used to screen the potential bioactive components of JGD. Simultaneously, HPLC-ELSD fingerprint combined with multiple analytical methods was carried out for determination of the chemical compounds in JGD. Subsequently, quality markers for identification of quality variations in JGD were established through the integration of results from network pharmacology and fingerprinting, in combination with similarity analysis, hierarchical clustering analysis (HCA), and orthogonal partial least squares discrimination analysis (OPLS-DA).
 Results: A total of 110 compounds responsible for the regulation of 36 target genes in airway inflammation and cough were identified through network pharmacology. Furthermore, 37 characteristic components were obtained through fingerprints. Similarity analysis revealed that the main bioactive compounds in the various batches of JGD were similar. Also, HCA and OPLS-DA analyses were performed to identify the potential quality markers. Glycyrrhizic acid, liquiritin, and platycodin D were selected as quality markers, based on effectiveness, measurability, and distinguishability. Furthermore, quality variations in JGD arose mostly from variations in origin of gancao.
 Conclusion: The screened quality markers for JGD are useful in evaluation of factors that affect the quality and variation in JGD. The concept of integration of network pharmacology and fingerprint with multiple analytical methods might be a novel strategy for quality control of Traditional Chinese Medicine (TCM) formulations.
 
 
 
Highlights
As is well known, Traditional Chinese Medicine (TCM) has a profound history of clinical application in the treatment and prevention of diseases
The impact of different origins on Jie-Geng decoction (JGD) based on the areas of 37 common chromatographic peaks was determined using hierarchical clustering analysis (HCA)
These comprised 3 known compounds and 17 unknown compounds. These compounds with variable importance in projection (VIP) scores greater than 1 were potential markers for quality control of JGD
Summary
Traditional Chinese Medicine (TCM) has a profound history of clinical application in the treatment and prevention of diseases. Components that are present in TCM, as well as those generated during processing, are connected with the functional attributes of TCM. These components which have well-defined chemical structures, and can be qualitatively identified and quantitatively determined, are referred to as Q-markers [2]. Network pharmacology has gradually become an effectual research approach for determination of the complex biological relationships in TCM, including the interactions among herbs, compounds, targets, pathways, and diseases [3]. Tao [8] has reported that JGD protected mice against lipopolysaccharide-induced ALI through a mechanism involving anti-inflammatory effects of multiple targets of various compounds. The Q-markers were used to assess variations in quality of JGD, as well as factors that influence the variations in JGD
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