Multitarget antidiabetic mechanisms of Juru-5 revealed by network pharmacology and molecular docking

The therapeutic mechanisms of the herbal formula Juru-5 in managing type 2 diabetes mellitus (T2DM) were investigated through a systematic pharmacology approach and molecular docking techniques. Active compounds and their targets were identified using TCMSP, BATMAN-TCM, and other databases, while T2DM-related targets were obtained from GeneCards, OMIM, TTD, and DrugBank. The analysis of overlapping targets between Juru-5 and T2DM was performed using PPI networks, GO, and KEGG pathway enrichment. Validation of key compound-target interactions was conducted through molecular docking studies. In total, 55 active components and 1145 potential targets corresponding to the ingredients of Juru-5 were identified. Network analysis highlighted six key bioactive compounds: quercetin, (-)-epigallocatechin-3-gallate, kaempferol, berberine, luteolin, and betulin. Additionally, 209 overlapping targets between Juru-5 and T2DM were identified. The PPI network unveiled core targets including AKT1, ALB, TNF, INS, TP53, IL6, IL1B, CASP3, BCL2, and SRC. Enrichment analyses indicated that these targets were mainly involved in hormone and nitrogen compound responses, MAPK signaling regulation, membrane and nuclear components, and GPCR activity. Furthermore, KEGG analysis indicated involvement in inflammatory signaling pathways, including NF-κB as well as endocrine and stress response pathways. Molecular docking results demonstrated strong binding affinities between key compounds and core targets. Overall, Juru-5 appears to have a promising therapeutic effect on T2DM through multi-component mechanisms that target various metabolic regulation and inflammation processes. These findings provide a systematic foundation for understanding the pharmacological effects of Juru-5 and endorse its potential role as an adjunctive therapy for T2DM.