Ferula gummosa in colorectal cancer: a bioinformatics and experimental validation study

Background and purpose: Colorectal cancer (CRC) is a significant global health challenge, necessitating a comprehensive molecular understanding for personalized treatments. Molecular profiling has elucidated key biomarkers that are essential for prognosis, treatment responsiveness, and targeted therapeutic interventions. Experimental approach: This study explored the role of indigenous phytochemicals, using bioinformatics and experimental assays to identify potential CRC-specific therapeutic targets. Findings/Results: A system biology and drug-target network analysis identified four proteins (ANG, DPP4, INSR, and MAPK14) as potential targets for further investigation. Molecular docking studies showed that the cauferoside from Ferula gummosa has a strong binding affinity for these proteins. Molecular dynamics simulations confirmed the stability of the compound-protein complexes. In vitro assays demonstrated the cytotoxic effects of F. gummosa extracts on CRC cells. The leaf extract significantly downregulated the expression of the ANG , DPP4 , INSR , and MAPK14 genes, while the root extract exhibited differential effects on gene expression. Conclusion and implications: The findings suggest the potential therapeutic efficacy of F. gummosa against CRC and emphasize the importance of a dual methodology involving bioinformatics and experimental validation in drug discovery. Further in vivo and clinical studies are warranted to validate these findings and facilitate potential therapeutic applications.