• Comparative study of fluorouracil and fludarabine effects on p53 protein using molecular docking method
  • Farnoosh ahmadi,1,*
    1. iran azad university tehran north Branch


  • Introduction: Fluorouracil (5-FU) is a pyrimidine analogue used as an antineoplastic agent to treat multiple solid tumors including colon, rectal, breast, gastric, pancreatic, ovarian, bladder and liver cancer Fludarabine is a purine analogue and antineoplastic agent used in the therapy of chronic lymphocytic leukemia (CLL) and in immunosuppressive regimens in preparation of hematopoietic cell transplantation (HCT) TP53 is found in increased amounts in a wide variety of transformed cells. TP53 is frequently mutated or inactivated in about 60% of cancers. TP53 defects are found in Barrett metaplasia a condition in which the normally stratified squamous epithelium of the lower esophagus is replaced by a metaplastic columnar epithelium. The condition develops as a complication in approximately 10% of patients with chronic gastroesophageal reflux disease and predisposes to the development of esophageal adenocarcinoma In this descriptive-analytical study, we investigate fluorouracil and fludarabine effect on p-53 protein using molecular docking method.
  • Methods: In this study, we used the Pub Chim site at pubchem.ncbi.nlm.nih.gov, Dragbank www.drugbank.com, and www.uniprot.org to examine Fluorouracil and Fludarabine derivatives. Also from the software ViewerLite, AutoDockTools-1.5.6, Chimera 1.15 and PyRx were also used. In this article, we first saved fluorouracil and fludarabine from a pub site as a pdb file.
  • Results: According to Docking studies, we found that conformation of fluorouracil 1 with negative binding affinity and RMSD had a better effect on P53 protein to induce apoptosis and prevent cancer cell growth.
  • Conclusion: better effect on P53 protein to induce apoptosis and prevent cancer cell growth.
  • Keywords: p53 fluorouracil and fludarabine molecular docking method