Exploring the Therapeutic Potential of Native Plant Compounds: Unveiling the Therapeutic Potential of Ferula gummosa in Colorectal Cancer through Bioinformatics and Experimental Validation

Colorectal cancer (CRC) presents a significant global health challenge, which demands advanced molecular understanding for personalised treatments. Molecular profiling has revealed biomarkers crucial for prognosis, treatment response, and targeted therapies. This study explores the role of native plant compounds, using bioinformatics and experimental assays to identify potential CRC-specific therapeutic targets. A drug-target network analysis identified four proteins (ANG, DPP4, INR, and MAPK14) as potential targets for further investigation. Molecular docking studies identified the cauferoside from Ferula gummosa as a compound with high binding affinity to these proteins. Molecular dynamics simulations confirmed stability in the compound-protein complexes. In vitro assays demonstrated the cytotoxic effects of F. gummosa extracts on CRC cells, with leaf extract significantly downregulating the expression of the ANG, DPP4, INR, and MAPK14 genes. Root extract exhibited differential effects on gene expression. These 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 advance potential therapeutic applications.