Abstract
Background: The systems pharmacology approach is a target prediction model for traditional Chinese medicine and has been used increasingly in recent years. However, the accuracy of this model to other prediction models is yet to be established. Objective : To compare the systems pharmacology modelwithexperimental gene chip technology by using these models to predict targets of a traditional Chinese medicine formulain the treatment of primary liver cancer. Methods: Systems pharmacology and gene chip target predictions were performed for the traditional Chinese medicine formula ZhenzhuXiaojiTang (ZZXJT). A third square alignment was performed with molecular docking. Results: Identification of systems pharmacology accounted for 17% of targets, whilegene chip-predicted outcomes accounted for 19%.Molecular docking showed that the top ten targets (excludingcommon targets) of the system pharmacology model had better binding free energies than the gene chip model using twocommon targets as a benchmark. For both models, the core drugs predictions were more consistent than the core small molecules predictions. Conclusion:In this study, the identified targets of systems pharmacology weredissimilar to those identified by gene chip technology; whereas the core drug and small molecule predictions were similar.
Highlights
Traditional Chinese medicine (TCM) has a long history of clinical application in China andforms a complete and independent system of diagnosis and treatment
2.1.1 Screening of Active Ingredients and Related Targets ofZZXJT We searched for the active ingredients of thefive herbs, EZ, NZZ, BH, XKC, and GConthe traditional Chinesemedicine systems pharmacology database andanalysis platform (TCMSP) (Ru et al, 2014)
3.1.1 Identified Active Ingredients and Targets of ZZXJT A total of 126 chemical components were initially extracted from ZZXJT and 103 active components were identified after ADME screening and normalisation of the UniProt protein database, including poriferosterol, glycyrol, and hederagenin
Summary
Traditional Chinese medicine (TCM) has a long history of clinical application in China andforms a complete and independent system of diagnosis and treatment. At Heilongjiang University of Chinese Medicine, our experimental group graduallyformed a unique drug regimen for the treatment of primary liver cancer, by diagnosing and treating primary liver cancer with a large collection of herbs, and observing the clinical efficacy of these herbs in patients. Using this clinical experience, we identified five crucial herbs, includingLigustrum (NZZ), Curcumaerhizoma (EZ), Prunella vulgaris (XKC), Hedyotisdiffusa (BH), and Glycyrrhizae radix (GC). The accuracy of this model to other prediction models is yet to be established
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