Abstarct: Cancer is a disease caused by unbalanced control and abnormal growth of cells. One of the significant causes of cancer is the overproduction of Protein kinase that leads to over-Phosphorylation of proteins and it can alter the function and activity of cells. Epidermal growth factor receptor is one of the essential parts of Protein kinase that plays a vital role in procedures such as cell proliferation, cell mobility, angiogenesis and resistance against apoptosis. According to the conducted studies, it appeared that in most tumors overexxpression of epidermal growth factor receptor plays a fundamental role. That’s why identification and understanding the interaction of these inhibitors of receptors are considered as very important targets for the function of anticancer agents. Today, computer simulations are one of the best ways to study these interactions. In the first section of this thesis, according to the conducted studies, among the derivatives of quinazoline, which are known to be the most potent protein 1M17 inhibitors, a compound with optimal inhibitory constant and high inhibitory potency was selected and used as reference drug. This compound is (6-Fluoro-2-(4-fluorophenyl)-3-(Oxindole-3-indolone) Amino kinazoline-4(H3) one. In the second section of thesis, 264 compounds of derivatives of quinazoline have been examined by the use of virtual screening, and from among them three compounds with more negative connection energy have been selected as recommended drugs for the inhibition of protein 1M17 and have been researched by the use of dynamic molecular simulation method. The obtained results from the dynamic molecular method, approved the procedure of molecular docking and drug one that is called N- (2,4-Dimethoxyphenyl)-2-(6- Fluoro-2-(4-fluorophenyl)- quinazoline-4-il(tio) Acetamide. It has been selected as The best drug and the strongest inhibitor. According to obtained energy values by the use of MMGBSA method for complex drugs it has been determined that the largest share of the released energy of the connection is related to Van der Waals energy. Also hydrophobic forces play a vital role in the connection energy.