Network pharmacology-based investigation of potential targets of mulberry twig acting on polycystic ovary syndrome.

backgroundPolycystic ovary syndrome (PCOS) is a polygenic multifactorial systemic inflammatory autoimmune disease. Mulberry twig (MT) has pharmacological activities such as anti-inflammatory, hypoglycemic, anti-oxidant, and insulin resistance. Our study aimed to understand whether MT can affect PCOS and to assess its potential targets.

methodsPCOS targets were searched using the OMIM, TTD, and GeneCards databases. The active components and corresponding protein targets of MT were searched in the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, and the compound-target network was constructed using Cytoscape 3.8.0. The intersection of the compound and disease targets was obtained, and the coincidence target was imported into the STRING database to construct a protein-protein interaction (PPI) network. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed on these targets. Finally, molecular docking methods were used to confirm the high affinity between the bioactive molecules of MT and their targets in PCOS.

resultsTCMSP database results showed that the 3 active components of MT acted against PCOS. The PPI network and core target analysis suggested that AKT1, TNF, and CASP3 are key targets of PCOS. KEGG analysis showed that MT treatment in PCOS mainly involved fluid shear stress and atherosclerosis. GO analysis showed that positive regulation of the apoptotic process, caveola, and enzyme binding play an important role in MT in PCOS. Molecular docking methods confirmed the high affinity between the bioactive molecules of MT and their targets in PCOS.

conclusionMT may serve as a promising therapeutic candidate for PCOS, as verified by the network pharmacology approach based on data mining and molecular docking methods. However, further in vivo and in vitro experiments are needed.