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Step 1: Target Screening and Network Construction
- Obtain gut microbiota metabolites from databases such as gutMGene.
- Predict targets using SEA/STP.
- Retrieve pancreatic cancer-related targets from databases such as GeneCards and DisGeNet.
- Construct a "gut microbiota - metabolite - pancreatic cancer target" network.
Step 2: Functional and Pathway Validation
- Perform GO/KEGG enrichment analysis on core targets.
- Identify key pathway nodes regulated by core metabolites through PPI network and module analysis.
Step 3: Molecular Docking and Drugability Assessment
- Perform molecular docking of core metabolites with core pancreatic cancer targets to verify binding affinity.
- Evaluate the ADMET properties (e.g., bioavailability, toxicity) of metabolites to screen for the most promising drug candidates.
Step 4: In Vitro and In Vivo Validation
- In Vitro Experiments: Validate the effects of core metabolites on pancreatic cancer cell proliferation, apoptosis, and migration.
- In Vivo Experiments: Establish a pancreatic cancer mouse model. Observe tumor growth, gut microbiota composition, and related pathway activation by supplementing core metabolites.
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