Assessing the Mechanism of Action of "Fructus Ligustri Lucidi-Cuscutae Semen" in Prostate Cancer Treatment Using Network Pharmacology and Molecular Docking.

Objective: To explore the mechanism of action of "Fructus Ligustri Lucidi-Cuscutae Semen" in the treatment of prostate cancer using network pharmacology and molecular docking.

Methods: The active ingredients and targets of "Fructus Ligustri Lucidi-Cuscutae Semen" were obtained by searching the TCMSP and DrugBank databases. These were matched and corrected using the UniProt platform. A drug "active ingredient-target" network map was constructed using Cytoscape 3.8.0. Prostate cancer-related targets were acquired from GeneCards, Disgenet, DrugBank, and other databases. The protein-protein interaction (PPI) network between the drug and prostate cancer was constructed with BioGenet; the crossover network of the two targets was extracted derive the key targets of "Fructus Ligustri Lucidi-Cuscutae Semen" for prostate cancer treatment. We used the Metascape platform for GO and KEGG enrichment analysis of the key targets. AutoDockTools1.5.6 and PyMOL software were used to perform molecular docking.

Results: We obtained 13 active ingredients, 221 drug targets, 1511 prostate cancer targets (including 221 key targets), and 305 KEGG pathways from "Fructus Ligustri Lucidi-Cuscutae Semen." Paclitaxel, quercetin, kaempferol, TP53, -sitosterol, EGFR, and ESR1 in "Fructus Ligustri Lucidi-Cuscutae Semen" showed good docking activity.

Conclusion: "Fructus Ligustri Lucidi-Cuscutae Semen" is a valuable clinical guide for the treatment of prostate cancer with multicomponent, multitarget, and multipathway characteristics.