Assessing the Binding Potential of Tamoxifen,Paclitaxel and Oxaliplatin to TP۵۳: A Molecular DockingStudy

Background: P۵۳ is the most famous tumor suppressor thatis mutated in more than ۵۰% of human cancers. Consideringthe vital role of p۵۳ in inhibiting carcinogenesis, this proteinis the most important drug targets for cancer treatment. In thisresearch, the comparison of different drugs related to p۵۳, especiallyits role in apoptosis, as well as approaches to target p۵۳and its regulators for cancer treatment have been examined. Tamoxifen(C۲۶H۲۹NO), Paclitaxel (C۴۷H۵۱NO۱۴) and Oxaliplatin(C۸H۱۴N۲O۴Pt) are compared to treat different cancersand their effects on p۵۳ are investigated.Materials and Methods: This is a descriptive-analytic researchproject. PubChem and the Protein Data Bank (PDB) were usedto obtain tertiary structure of p۵۳ (Pdb p۵۳: ۱ tup) as well asthe drugs compounds. Molecular docking was screened usingMVD (Molegro Virtual Docker), version ۶ with a grid resolutionof ۰.۳۰ A. The calculated ligand receptor (protein) interactionenergy is represented by docking score (DOS). As a result,more negative scores indicate a stronger binding tendency.Results: Tamoxifen had the best DOS (-۶۷.۳۴) and Paclitaxeland Oxaliplatin had the worst DOS (-۶۰.۴ and -۵۰.۸ respectively)compare with Tamoxifen.Conclusion: The findings revealed that one of the three FDAapproveddrugs selected for the study can be a potent inhibitorof p۵۳. Among them, Tamoxifen may be the most effective forthe treatment of the disease. On the basis of the findings, it isrecommended that in-vitro and in-vivo studies be carried out todetermine the efficacy of this drug against the Cancer.