In silico analysis of cytochrome P450 3A4 inhibition by Azithromycin
Publish place: First National Congress of Innovative Approaches in Biology, Pharmacy and Food Industry
Publish Year: 1400
Type: Conference paper
Language: English
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Document National Code:
SBPFST01_042
Index date: 11 May 2022
In silico analysis of cytochrome P450 3A4 inhibition by Azithromycin abstract
Expression of CYP3A4 in breast tumor tissue causes drugs used in treatment of breast cancer such as docetaxel,irinotecan to be inactivated by CYP3A4.increased CYP3A4 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
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