<i>Ferula gummosa</i> in colorectal cancer: a bioinformatics and experimental validation study

<h4>Background and purpose</h4>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.<h4>Experimental approach</h4>This study explored the role of indigenous phytochemicals, using bioinformatics and experimental assays to identify potential CRC-specific therapeutic targets.<h4>Findings/results</h4>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 <i>Ferula gummosa</i> has a strong binding affinity for these proteins. Molecular dynamics simulations confirmed the stability of the compound-protein complexes. <i>In vitro</i> assays demonstrated the cytotoxic effects of <i>F. gummosa</i> extracts on CRC cells. The leaf extract significantly downregulated the expression of the <i>ANG</i>, <i>DPP4</i>, <i>INSR</i>, and <i>MAPK14</i> genes, while the root extract exhibited differential effects on gene expression.<h4>Conclusion and implications</h4>The findings suggest the potential therapeutic efficacy of <i>F. gummosa</i> against CRC and emphasize the importance of a dual methodology involving bioinformatics and experimental validation in drug discovery. Further in <i>vivo</i> and clinical studies are warranted to validate these findings and facilitate potential therapeutic applications.