• Investigate interaction between Ethyl cinnamate and E6 protein
  • Ali Firouzmand,1,* Vida Hasanvand,2
    1. Department of Biology, Faculty of Science, Bu-Ali Sina University, Hamedan, Iran
    2. Department of Biology, Faculty of Science, Bu-Ali Sina University, Hamedan, Iran


  • Introduction: In this research article, we investigated the interaction between ethyl cinnamate and E6 protein. For this purpose, we used the molecular docking method. E6 produces a protein (also called E6) that simultaneously binds to two host cell proteins called p53 and E6-Associated Protein (E6-AP). the degradation of p53, induced by E6, promotes unregulated cell division, cell growth and cell survival, all characteristics of cancer. according to the numbers, ethyl cinnamate has suitable interaction with E6 protein. So, it could be a drug for treatment of cervical cancer and another types of cancer.
  • Methods: In this study, we used uniprot website and rcsbpdb website to extract protein's 3D structure as pdb file. After this, we made the protein ready for the project by making changes using Chimera software. E6(4xr8) is the structure which we downloaded and keep the F chain of this Also, by using this software, water molecules were removed from the protein and hydrogen molecules were added to its structure. After this changes, we used pubchem and drugbank to extract 3D Structure of drug as sdf file. molecular docking process was performed by using PyRx software. In this research, the blind docking method was used.
  • Results: according to the numbers, ethyl cinnamate has suitable interaction with E6 protein. So, it's clear that our compound can be docked to E6 protein the numbers of binding affinity are suitable. also, we have normal range of numbers on RMSD
  • Conclusion: ethyl cinnamate could be a drug for treatment of cervical cancer and another types of cancer. however, in this article we just worked on in-silico. to prove these conclusions, in-vitro and in-vivo steps should be done.
  • Keywords: MolecularDocking, Bioinformatic, E6protein, EthylCinnamate, Cancer