Mechanistic insights into Smilax Glabra and Semen Coicis for gout and hyperuricemia treatment: a network pharmacology and molecular docking approach

doi:10.5246/jcps.2025.08.055

Abstract

Abstract:

To elucidate the mechanisms underlying the therapeutic effects of the herbal medicine pair Smilax Glabra and Semen Coicis in treating gout and hyperuricemia, a comprehensive analysis was conducted using network pharmacology and molecular docking methods. Disease-associated targets for gout and hyperuricemia were identified from the GeneCards, OMIM, Disgenet, and TTD databases, while the key active components and their corresponding targets for Smilax Glabra and Semen Coicis were obtained from the TCSMP database. The intersection of these targets enabled the construction of a protein-protein interaction (PPI) network, which was subsequently visualized and analyzed. Core targets were further subjected to Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses to elucidate the biological processes and pathways involved. Molecular docking was then employed to validate the reliability of the interactions between the active components and the identified targets. The analysis revealed that Smilax Glabra and Semen Coicis contained 15 bioactive components that interacted with 393 potential targets, while gout and hyperuricemia were associated with 660 targets in total. The primary active compounds implicated in treating these conditions included diosgenin, quercetin, and naringenin, which were found to interact with crucial hub targets such as BCL2, CASP3, and MAPK3. These interactions suggested that the herbal medicine pair modulated several biological processes, including gland development and the regulation of body fluid levels, through pathways involving membrane rafts, membrane microdomains, and nuclear receptor activities. Enrichment analyses highlighted their involvement in multiple signaling pathways, such as EGFR tyrosine kinase inhibitor resistance, phospholipase D signaling, and platelet activation. Molecular docking confirmed the strong binding affinities between the hub genes and the major active components, supporting their potential role in therapeutic efficacy. This study demonstrated that Smilax Glabra and Semen Coicis might offer a promising therapeutic strategy for gout and hyperuricemia by targeting multiple molecular components, biological functions, and pathways. The findings underscored the unique potential of traditional Chinese medicine (TCM) in managing complex diseases by leveraging synergistic effects across diverse biological mechanisms.

Key words: Network pharmacology, Molecular docking, Smilax Glabra, Semen Coicis, Gout, Hyperuricemia

Supporting:

Yi Wang, Yuyao Xiong. Mechanistic insights into Smilax Glabra and Semen Coicis for gout and hyperuricemia treatment: a network pharmacology and molecular docking approach[J]. Journal of Chinese Pharmaceutical Sciences, 2025, 34(8): 741-754.

Figures/Tables 11

Table 1. Main active components of Smilax Glabra and Semen Coicis.

Table 2. CytoHubba 10-item scoring gene rankings.

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