Objective: To study the active compounds in Jinshui Huanxian formula in the treatment of pulmonary fibrosis with a pharmacological approach.
Methods: A systems pharmacology model, incorporating active compounds and targets prediction, and herbal-compound-target-disease network analysis, was established to predict the active substances and therapeutic mechanisms of Jinshui Huanxian formula. All compounds from the herbs of Jinshui Huanxian formula were obtained from drug database and the literature. Then, we analyzed the potential of herbs by predicting oral bioavailability and drug-likeness index. The com- pounds with oral bioavailability ≥ 30% and drug-likeness index ≥ 0.18 were obtained as candidate compounds for further analysis. We then used the systematic drug targeting tool to screen the targets for candidate compounds. The potential targets were projected into Therapeutic Target Database to collect their corresponding diseases. The candidate compounds, potential targets and their related diseases were applied to construct the compound-target and target-disease network.
Results: Totally 136 compounds from Jinshui Huanxian formula and 265 potential targets were found. Compound-target network analysis suggested that different herbal drugs contained in the Jinshui Huanxian formula could regulate these similar targets to probably exert synergistic effect. Moreover, target proteins were mainly related to oxidoreductase activity, nicotinamide adenine dinucleotide phosphate binding, and G-protein coupled amine receptor activity, which might be associated with the therapeutic mechanisms of Jinshui Huanxian formula. In addition, Jinshui Huanxian formula was probably efficient for many different diseases, such as respiratory tract diseases, neoplasm, nervous system diseases, and cardiovascular diseases, according to target-disease network.
Conclusion: This study may provide a method to explore the potential active compounds in Jinshui Huanxian formula used to treat pulmonary fibrosis.
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