Molecular docking of Breast cancer anti-estrogen resistanceprotein ۱ and the main compounds of Thymus migricus in order tofind a new drug against breast cancer

Medicinal plants have traditionally been usedsince ancient times as alternative medicinesto treat various human diseases. Thymemigricus is a well-known aromatic plant andis abundant in the wild habitats of thenorthwestern highlands of Iran. This plantand its products, especially its essential oil,are traditionally used from the aerial parts asa bloating, antitussive, anticonvulsant,diuretic, digestive, disinfectant andexpectorant. Moreover, carvacrol and thymolare natural compounds that also workagainst cancer .Our aim in this study wasmolecular analysis of Breast cancer antiestrogenresistance protein ۱ with the mainconstituents of Thyme migricus by dockingmethod to find a new drug against breastcancer.In this study, first the PDB file of ten mainconstituents of Thymus migricus wasextracted from Chemspider database andalso the PDB file of Breast cancer antiestrogenresistance protein ۱ with code۱X۲۷ was obtained from rcsb site. In thenext step, molecular binding analysis wasperformed for each compound usingHDOCK online software.

Keywords:

Molecular docking , Breast cancer anti-estrogenresistance protein ۱ , Thymus migricus , Breastcancer