ABSTRACT
Objective: Based on traditional Chinese medicine (TCM) inheritance system and integrated pharmacology platform for data mining of ulcerative colitis prescription, The difference of molecular mechanism between high-frequency herb combination and potential new prescriptions were screened to explore the potential molecular targets and signal pathways. Methods: The prescriptions of ulcerative colitis were collected from “Chinese medicine prescription dictionary”. Association rules and complex system entropy clustering were used to determine the frequency of usage and association rules of each drug, and identify high-frequency herb combinations and new potential prescriptions. By using integration platform, network construction and target prediction, the disease-target network, herb-target network, GO and KEGG pathway of ulcerative colitis related preparations of high frequency as well as potential new pairs were analyzed. The potential molecular mechanism of ulcerative colitis related targets was compared in high-frequency and new prescriptions by analysis of functions and pathways. Results: From 257 prescriptions, the frequency of usage and the association rules of prescription herb were analyzed. A total of six core combinations and three new potential prescriptions were identified, and the disease-target relationship obtained, and molecular mechanism differences between the high-frequency herb combination and the new potential prescription were compared. Conclusion: Combination of TCM inheritance system and integrated pharmacology platform can help to explore the TCM formula and potential molecular mechanism of ulcerative colitis treatment from a macro and micro perspective, and provide the guidance for the further research of classic prescription and its derivatives.
ABSTRACT
This study aims to clarify out the anti-inflammatory mechanism of Qingfei Xiaoyan Wan. Chemical constituents of Qingfei Xiaoyan Wan identified by UPLC Q-TOF, were submit to Molinspiration, PharmMapper and KEGG bioinformatics softwares for predicting their absorption parameters, target proteins and related pathways respectively; and the gene chip and real time-PCR were carried out to investigate the expression of inflammatory genes on lung tissue of guinea pigs or human bronchial epithelial cell lines. The predicted results showed that 19 of the 24 absorbable constituents affected at 9 inflammation-related pathways through 11 protein targets; Qingfei Xiaoyan Wan treatment can significantly reduce the infiltration of cytokines through ERK1 gene and 5 inflammatory pathways (Focal adhesion, Fc epsilon RI, Toll-like receptors, NK cell-mediated cytotoxic, and ERK/MAPK). The results of real time-PCR further confirmed that the anti-inflammatory effects of Qingfei Xiaoyan Wan were due to active ingredients such as arctigenin, cholic acid and sinapic acid intervened focal adhesion, Fc epsilon RI signaling and ERK/MAPK pathways. The novel approach of 'drug-target-pathway' will present an effective strategy for the study of traditional Chinese medicines.