Background. Using network pharmacology and molecular docking, this study aimed to explore the active pharmaceutical ingredients (APIs) and molecular mechanism of Qinshi Simiao San (QSSMS) in the treatment of chronic prostatitis (CP) and verify our findings in the rat model. Methods. The APIs of QSSMS and the common targets of QSSMS and CP were screened from the TCMSP database. The STRING database and Cytoscape software were used to construct the network graph. The enriched GO and KEGG pathways were displayed by David software and R software. Molecular docking was performed to visualize key components and target genes. In addition, the rats model of CP was established to verify the molecular mechanism of QSSMS. Results. Network pharmacology showed that the APIs of QSSMS mainly included quercetin, kaempferol, formononetin, isorhamnetin, and calycosin. QSSMS alleviated CP mainly through the negative regulation of the apoptotic process, oxidation-reduction process, inflammatory response, and immune response. Molecular docking showed that the APIs could bind to the corresponding targets. QSSMS repaired the pathological damage of prostate tissue, upregulated the expression of oxidative stress scavenging enzymes CAT and SOD, and downregulated the peroxidative product MDA, inflammatory factors IL-1β, IL-6, TNF-α, COX-2, PGE2, and NGF, and immune factors IgG and SIgA. Conclusion. The APIs in QSSMS may inhibit inflammation in the rat CP model by regulating immune and oxidative stress.
Background. Fuzheng Yiliu decoction (FZYLD) was a traditional prescription with an antitumor effect. We aimed to explore the antitumor effect of FZYLD and its active ingredient, quercetin, on prostate cancer (PCa). Methods. The effective components and potential targets of FZYLD were obtained from the TCMSP, Herb, and Batman databases. The relationship between the active compounds of FZYLD and PCa’s potential targets or pathways was analyzed by Cytoscape 3.8.0 software and the String database. The compound composition of FZYLD was detected by HPLC. The effects of quercetin, with the most effective active ingredient of FZYLD, on PC-3 cell growth, metastasis, and PI3K/AKT pathway were seen by CCK-8 Kit, transwell experiment, TUNEL assay, nude mouse tumorigenesis test, and Western blot analysis. Results. Through network pharmacological analysis, we screened 195 effective active components of FZYLD, covering 290 targets, of which 198 were related to PCa. Quercetin, luteolin, kaempferol, anhydroicaritin, and 7-O-methylismucronulatol were important active compounds. MAPK1, AKT1, MAPK3, STAT3, and Jun were common targets of PCa and FZYLD. Our in vivo and in vitro experimental results confirmed that quercetin inhibited PCa’s growth, cell migration, and the PI3K/AKT pathway and promoted cell apoptosis. Conclusions. As predicted by the network pharmacological strategy and verified by the basic experimental results, FZYLD might play an antitumor role through multiple components, targets, and pathways. These results provide a new basis for developing and applying FZYLD and its compound quercetin.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.