Network pharmacology and molecular docking analysis of Catharanthus roseus compounds: Implications for non-small cell lung cancer treatment

The prevalence of non-small cell lung cancer (NSCLC), particularly in the Eastern Region of Saudi Arabia, is concerning and highlights the need for novel treatments, despite recent progress in NSCLC treatment. Plantderived natural compounds, such as those found in Catharanthus roseus, have shown promising results in cancer research. By employing cutting-edge computational analysis techniques, such as molecular docking and network pharmacology, the study aimed to understand the mechanism of action of compounds isolated from C. roseus. The study identified several bioactive and drug-like compounds in C. roseus that displayed diverse interactions with important proteins associated with cancer. The compounds PubChem CIDs 5316490, 425978, and 261578 were found to form significant interactions within the binding site of the B-cell-lymphoma-2 (BCL-2) protein. Compound 5316490, in particular, interacted with critical residues within the target protein, highlighting its potential as a therapeutic agent against lung cancer. The understanding of the molecular targets and mechanism of action of C. roseus bioactive compounds obtained from this study provides hope for improving current treatment options. In conclusion, the findings provide additional details on the evidence supporting the potential of C. roseus as a treatment for NSCLC and suggest that further research could lead to the development of innovative, potent therapies.