Furthermore, molecular docking analysis was performed to compare the scoring functions obtained after docking with one of the FDA-approved anti-cancer drugs fluorouracil to the selected receptor molecules, namely caspase-3, apoptosis regulator Bcl-2, TNIK, and CDK2 Figure 11A,B, and Figure 12A,B depict the anti-cancer drug fluorouracil’s 2D and 3D interactions with the caspase-3 protein and the apoptosis regulator Bcl-2. The gene discussed is CASP3; the disease is cancer.