Integrating Multi-Datasets Analysis with Molecular Docking To Explore Potential Therapeutic Compound and Its Mechanism and Target Sites in Gastric Carcinoma

Autor: Wen Ma, Aimin Jiang, Juan Ren, Yanli Yan, Guangzu Li, Xiaozhi Zhang, Ling Chen, Jiangzhou Zhang, Zhaode Feng, Haojing Kang, Shuheng Bai, Rong Li
Rok vydání: 2021
Předmět:
Popis: Background Gastric carcinoma still threatens public health with high morbidity and mortality, especially in Eastern Asia. Target therapy possesses a vast value and makes significant progress in cancer treatment, and it is essential to explore more potential target drugs in gastric carcinoma. Methods Gene expression data was obtained from TCGA (The Cancer Genome Atlas) and GEO (Gene Expression Omnibus) datasets and the interaction networks of chemical-genes was obtained from CTD (Comparative Toxicogenomics Database). Then, GSEA (Gene Set Enrichment Analysis) was utilized to identify the significant compounds, which related to gene expression in gastric carcinoma. Moreover, PPI (Protein-Protein Interaction) network, screening of hub-genes, KEGG (Kyoto Encyclopedia of Genes and Genomes), and GO (Gene Ontology) analysis were employed to explore potential mechanisms and potential targets of these compounds. Finally, molecular docking was used to analyze the stable binding between the compounds and target proteins. Results Bazedoxifene was selected by integrating datasets and bioinformatics analysis as a potential therapeutic compound. UHRF1, MCM10, HELLS, and DTL with high expression in cancer tissues may be new targets in gastric carcinoma. Furthermore, Bazedoxifene may target UHRF1 and the pathway of ubiquitin-like protein transferase in gastric carcinoma and has potential therapeutic value. Conclusion It is infered that Bazedoxifene may target on UHRF1 in gastric carcinoma and has the therapeutic potential.
Databáze: OpenAIRE