Cancer is one of the most common diseases that affects a substantial proportion of the world's population. Apoptosis is a major contributor to the genesis and progression of cancer. The current issue is to transform new treatment prospects into knowledge gained about mechanisms of abnormal cell death control in malignancies. Basic research has highlighted the road to attaining this. Damage to the apoptosis pathway has been linked to the development of cancer. The apoptosis signalling pathway is a novel cancer drug target. Caspase-8 homologue cellular FLICE-like inhibitory protein (c-FLIP) is catalytically inactive. Vitamin B-17, also known as Amygdaline, is a natural chemotherapeutic drug present in over 1,200 plants. Dr. Krebs claims that we need at least 100 mg of vitamin B-17 each day to almost assure a cancer-free life. Vitamin B-17 is found in apricot seeds, cassava root, sorghum, and other foods. We used the c-Flip protein in this study for homology modelling and additional ligand-based experiments to determine the best c-flip inhibitors. Because the structure of this protein was not accessible in the PDB, we modelled it and then docked it to locate the chemical. We also looked for it in a natural setting. After identifying a molecule with similar properties to Amygdaline, we chose Cassava and Sorghum as natural sources and processed them to extract the component