Abstract
Acteoside (ACT) is one of the most major components isolated from Cistanches Herba, a traditional Chinese medicine. However, its extensive pharmacological effects and multitarget features cause lacking of a systematic overview of its molecular mechanisms. In this study, we aimed to predict the potential targets and pharmacological mechanisms of ACT via network pharmacology strategy and provide scientific evidence of drug discovery. The druglikeness of ACT was measured using the TCMSP database, and its potential targets were identified by both of ChemMapper and PharmMapper based on 3D-structure similarity. By mapping the potential targets obtained from ChemMapper and PharmMapper, the intersecting targets were screened as candidate targets. GO classification, pathway enrichment analysis, and drug–target–pathway networks were constructed to give a visual view. In addition, experimental validations were carried out using HepG2 cell lines. Results showed that ACT has good druggability, and 13 protein targets were predicted. Network pharmacology analysis reflected that these potential targets were mainly associated with cancer, metabolism, antioxidant effects, and other physiological processes. Furthermore, the results of experimental validation indicated that ACT has no toxicity and has protective effects in hepatic lipid metabolism. Generally, ACT is predicted to multitargets and multipathways to form a network that exerts systematic pharmacological effects.
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This research was supported by the Natural Science Foundation of Xinjiang Uygur Autonomous Region, China (Grant No. 2017D01C213).
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Aisa, Y., Yunusi, K., Chen, Q. et al. Systematic understanding of the potential targets and pharmacological mechanisms of acteoside by network pharmacology approach. Med Chem Res 29, 793–801 (2020). https://doi.org/10.1007/s00044-020-02524-5
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DOI: https://doi.org/10.1007/s00044-020-02524-5