• Investigating the effect of tamoxifen on GSTM1 protein in endometriosis by molecular docking method
  • Mahsa Nahavandi,1,*
    1. Department of Microbiology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.


  • Introduction: Endometriosis is a chronic inflammatory disease defined as the presence of endometrial tissue outside the uterus, which causes pelvic pain and infertility. The function of GSTM1 (glutathione-S-transferase enzyme) can affect this disease. GSTM1 enzyme plays a role in detoxification of pollutants and dioxin. Dioxin is a carcinogenic and teratogenic compound and has different effects on the reproductive system and is considered as a risk factor for endometriosis. Null mutation in GSTM1 is associated with cancer caused by environmental factors and lack of detoxification enzymes.
  • Methods: The molecular docking technique is a descriptive analytical method that in this study, we first download the 3D structure of the GSTM1 protein from the Pdb site. We perform the necessary corrections in terms of charge flow, removing water molecules and adding hydrogen ions to the chains of this protein through the Chimera software. Then we download the 3D structure of Tamoxifen from PubChem website.
  • Results: RMSD Upper Bound RMSD Lower Bound Mode Binding Affinity Model 0.0 0.0 0 -7.7 1 2.192 1.439 1 -7.5 2 2.439 1.547 2 -7.5 3 9.062 5.429 3 -7.3 4 6.26 3.611 4 -7.2 5 8.501 4.091 5 -7.1 6 8.474 4.556 6 -7.1 7 20.272 17.782 7 -7.0 8 8.368 4.324 8 -7.0 9
  • Conclusion: According to the docking results presented in the above tables, Tamoxifen drug binds well to GSTM1 protein with negative energy (Binding Affinity) and can show its effect.
  • Keywords: Endometriosis , molecular docking technique , Tamoxifen , GSTM1 protein