Docking and virtual screening for determination of new derivatives of anti-cancer drugs from quinazoline compounds

The growth and spread of tumors to a great extent depend on the activity of recipients of cell membrane such as EGFR or the recipients of epidermal growth. EGFR plays a key role in most of cell processes involved in the spread of tumor and is indeed a promising objective regarding the treatment of cancer. Some drug combinations have been synthesized in order to control the enzyme of epidermal growth factor that have a considerable linkage energy. Due to the fact that in empirical and laboratory work the linkage mechanism of such drugs to protein is not specified, therefore, with the use of molecular docking, the strength and how the drugs were linked have been examined. The results reveal that the combination of 6-Fluoro-2-(4-fluoro-phenyl)-3-(2-oxo1,2-dihydro-indol-3-ylideneamino)-3H-quinazolin one, concisely; called combination a is considered as the most powerful combination that has been placed as the base, and its similar combinations which include 263 combinations have been examined more. Among these combinations, the combination of N-Cyclopropyl-3-{[2-(4-fluoro-phenyl)-quinazolin-4-yl]-furan-2-ylmethyl-amino}-propionamide concisely; called combination b has been recognized as the most powerful and best new combination.