Evaluation of the effect of Genistein, Rosmarinus officinalis, On EGFR protein by molecular docking method

BACKGROUND AND OBJECTIVESEstrogen receptor is usually used as the first treatment for patients with breast cancer. EGFR targeted therapy for breast cancer has promising effects for patients with,breast cancer.of related pathways With EGFR, may contribute to some aspects of the biological behavior of breast cancer. Therefore, blocking the receptor can lead to the suppression of breast cancer. The aim of this study is to determine which of the two drugs genistein, Rosmarinus officinalis has a better effect on the EGFR protein.MATERIALS AND METHODSIn this study, the Pub Chim site at pubchem.ncbi.nlm.nih.gov, Dragbank www.drugbank.com and www.uniprot.org was used. ViewerLite software, AutoDockTools-۱.۵.۶, Chimera ۱.۱۵ and PyRx was also used. In this article, we first saved Genistein and Rosmarinus officinalis from a site in PDF format. specifications of Genistein: Molecular formula:C۱۵H۱۰O۵Genistein is an isoflavone originally isolated from the Dyer's broom plant. Widely distributed in the Fabaceae family. Investigating the mechanisms of anticancer activity of many pathways, including induction of cell proliferation, suppression of tyrosine kinases, regulation of signaling, modulation of epigenetic activities, cell cycle arrest, and Akt and MEK signaling pathways. specifications of Rosmarinus officinalis: Molecular formula:C۲۰H۲۸O۴RESULTS AND DISCUSSIONThis systematic review aimed to evaluate the potential anti-inflammatory effect of Rosmarinus officinalis in clinical models of inflammation in vivo. Edited the target protein using Chimera ۱.۱۵ software. EGFR protein has four chains. In this study, we only used chain A for better matching, the other chains were removed. Also, using this software, water molecules were removed from the protein and hydrogen molecules were added to its structure. Then, using PyRx software, we started the molecular connection.To choose the right connection place was as follows:resolution:۶.۰۵center_x =-- ۱۳.۵۲۴center_y =-- ۱۶۵.۵۷center_z =-- ۲۹.۸۳۶۲size_x =-- ۱۳.۵۲۴size_y =-- ۱۶۵.۵۷size_z =-- ۲۹.۸۳۶۲CONCLUSIONAccording to docking results, it was observed that Rosmarinus officinalis can be a suitable drug for binding to EGFR protein

کلیدواژه ها:

bioinformatics ، molecular docking ، EGFR ، genistein ، Rosmarinus officinalis