Globally, colon cancer is the second most common cancer among men and women. There is an urgent need to search for a cure for colon cancer. Phytocomponents have shown to exhibit chemoprevention and chemotherapeutic effects related to colon cancer. Thus, phytocomponents can be used as the lead for new drug discovery. Computational biology approaches such as protein modelling and docking have helped in designing substrate-based drugs. In this study, three dimensional (3-D) models of tumour protein (p53), adenomatous polyposis coli (APC) and epidermal growth factor receptor (EGFR) were built using SWISS-MODEL; and their interaction with allicin, epigallocatechin-3-gallate and gingerol through blind docking were evaluated using BSP-SLIM server. These three target proteins are from colon cancer. Physiochemical characters of protein models were assessed through ExPASy’s ProtParam tool. Moreover, the protein structures were validated using PROCHECK, ProQ, ERRAT and VERIFY 3D servers. The protein models’ scores were within normal range. It also showed that the protein models were stable to proceed with the docking approach. Finally, the protein structures (target proteins) were docked successfully with allicin, epigallocatechin-3-gallate and gingerol (phytocomponent). The protein models had a strong interaction with the phytocomponents due to their good binding scores. The best docking scores of the protein-phytocomponent complexes (p53-allicin, APC-Epigallocatechin-3-Gallate and EGFR-gingerol) were 4.968, 6.490, and 6.034, respectively. Protein p53 had the strongest interaction with allicin due to its lowest binding score among all the protein-plant compound complexes. Thus, the results of this study can be used to design and develop a more powerful structure-based drug.
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