In silico analysis of cytochrome P۴۵۰ ۳A۴ inhibition by Azithromycin

Expression of CYP۳A۴ in breast tumor tissue causes drugs used in treatment of breast cancer such as docetaxel,irinotecan to be inactivated by CYP۳A۴.increased CYP۳A۴ activity leads to poor therapeutic effect of drugs,so inhibition of this enzyme plays an important role in preventing various cancers. has it Melegro virtual docker software was used to investigate the molecular docking of enzyme and azithromycin. Molecular simulation was performed by Gromacs program and the results were plotted with GRACE software.The results of molecular docking indicated a proper binding of the antibiotic to the enzyme. Molecular simulation was performed with Gromacs program and RMSD,RMSF,gyration radius were evaluated and the results were analyzed with Pymol and VMD software and the curve was plotted with GRACE software

کلیدواژه ها:

cytochrome P۴۵۰_۳A۴ ، Azithromycin ، insilico ، molecular docking