Quality marker prediction analysis of Wuwei disinfection decoction based on fingerprint and network pharmacology
Objective To predict the quality marker(Q-marker)of Wuwei disinfection decoction based on HPLC fingerprints and network pharmacology.Methods Using the Chinese Medicine Chromatographic Fingerprint Similarity Evaluation System(2012 version)software,the fingerprints of 15 batches of Wuwei disinfection decoction were established,and the peaks were found and assigned to each batch.Wuwei disinfection decoction's primary targets and routes were screened using network pharmacology,and a"component-target-pathway"network diagram was established.The five principles of the Q-marker were used to predict the quality marker in Wuwei disinfection decoction.Results The similarity of the fingerprints of 15 batches of Wuwei disinfection decoction was＞0.95,13 peaks were identified,and 11 peaks were recognized as neochlorogenic acid,chlorogenic acid,esculetin,cryptochlorogenic acid,loganin,secoxyloganin,chicoric acid,isochlorogenic acid B,isochlorogenic acid A,isochlorogenic acid C and linarin.Through the pharmacological analysis of the network,it was speculated that chlorogenic acid,esculetin,secoxyloganin,chicory acid,and linarin might be potential Q-marker of Wuwei disinfection decoction,which may regulate multiple genes,such as tumou suppressor p53/oncoprotein Mdm2,tyrosine-protein kinase SRC,as well as multiple cancer pathways such as pancreatic cancer and prostate cancer,to produce anti-tumor and anti-cancer effects.At the same time,Wuwei disinfection decoction was also predicted to be used for the treatment of COVID-19.Conclusion The established HPLC fingerprinting method of Wuwei disinfection decoction was sensitive,rapid,and stable.Based on the network pharmacology results,potential Q-marker with traceability,predictability,and close relevance to the clinical application of Wuwei disinfection decoction was screened,which can provide a reference for further research on Wuwei disinfection decoction in the future.
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