Elahe Ghoodjani - Department of Medicinal Chemistry, Pharmaceutical Sciences branch, Islamic Azad University, Tehran, Iran
Asghar Davood - Department of Medicinal Chemistry, Pharmaceutical Sciences branch, Islamic Azad University, Tehran, Iran

As breast cancer is a multifactor disease, it may be required to treatment with compounds that interact with multiple intracellular targets. current treatments usually involve chemotherapy, Surgery, and targeted therapies. Curcumin is a hydrophobic polyphenol with effect to multiple targets that use in the prevention and treatment of breast cancer. Curcumin has shown to interaction with multiple cell signaling pathways, including cell cycle (cyclin D1 and cyclin E), proliferation (HER -2, EGFR, AP-1), angiogenesis (VEGF) and detoxification (Glyoxalase I). Since high activities of GLOI have been reported in breast cancers tissues, inhibitors of human GLOI, is an effective target for the development of drugs to treatment breast cancers.Methods: The chemical structure of desired compounds were built using HyperChem software .The energy optimization of desired compounds was performed using Gaussian software . Among all energy minima conformers, the global minimum of compounds was used in docking calculations. using a model of the Enzyme glyoxalase I(PDB code 1QIN), Docking calculations were performed using Autodock software. The designed compounds were synthesized by condensation of the respective aromatic aldehyde (2 equiv) and appropriate ketone (1 equiv) were dissolved in ethanol. The product, obtained after removal of the solvent, and recrystallized from appropriate solvent to give the desired curcumin derivatives.Results: 5 derivatives of curcumin analogs were synthesized in good yields (40- 70%). Our docking studies have revealed all of curcumin derivatives, was affected, inhibitory activity, by formed to stronger hydrogen bonds, hydrophobic and pi-cation interaction.Conclusions:All of synthesized compounds were interacted with Enzyme glyoxalase I. Based on our previous in vivo screening studies this pharmacophore has the ability to the antitumor activity in a variety of breast cancer cell lines.

Breast cancer, Molecular docking, Enzyme glyoxalase I, Curcumin