Exploring the mechanism of jolkinolide B in gastric cancer treatment based on network pharmacology and molecular docking approach

ZHANG Hao; LI Ling-Min; WU Nan; WANG Ning-Ning; LI Xue-Yan; JIAN Bai-Yu

doi:10.16098/j.issn.0529-1356.2025.01.005

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Acta Anatomica Sinica ›› 2025, Vol. 56 ›› Issue (1) : 37-42. DOI: 10.16098/j.issn.0529-1356.2025.01.005

Exploring the mechanism of jolkinolide B in gastric cancer treatment based on network pharmacology and molecular docking approach

ZHANG Hao LI Ling-min WU Nan WANG Ning-ning LI Xue-yan JIAN Bai-yu*

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Abstract

Objective To explore the mechanism of action of jolkinolide B in the treatment of gastric cancer by network pharmacology combined with molecular docking technique. Methods The SwissTargetPrediction database was used to obtain the targets of the active compounds. Search Genecards, OMIM, Drugbank, TTD, and PharmGKB databases to obtain targets for gastric cancer. The intersection between the targets of jolkinolide B and those of gastric cancer was identified pinpoint potential targets for jolkinolide B in treating gastric cancer. The String database was utilized construct a protein-protein interaction(PPI) network. Bioconductor bioinformatics packages with R software was employed conduct Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis on the shared targets. This process revealed significant regulatory pathways crucial for jolkinolide B’s efficacy in treating gastric cancer. Cytoscape 3.7.1 software was utilized create the core network of “Potential Targets of Triptolide B in Gastric Cancer Treatment”, and SYBYL-X2.1.1 software was employed conduct molecular docking validation of the selected main active ingredients and critical targets. Results Jolkinolide B may target multiple proteins, including MAPK1, glycogen synthase kinae-3β(GSK-3β), and JUN, impacting the proliferation, invasion, and metastasis of gastric cancer, ultimately inhibiting its growth. ConclusionWe predicted the possible molecular mechanism of jolkinolide B in the treatment of gastric cancer to provide guide information for the subsequent experimental research and clinical application.

Key words

Jolkinolide B

/ Gastric cancer / Network pharmacology / Molecular docking / Gene set enrichment analysis

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ZHANG Hao LI Ling-min WU Nan WANG Ning-ning LI Xue-yan JIAN Bai-yu. Exploring the mechanism of jolkinolide B in gastric cancer treatment based on network pharmacology and molecular docking approach[J]. Acta Anatomica Sinica. 2025, 56(1): 37-42 https://doi.org/10.16098/j.issn.0529-1356.2025.01.005

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