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TITLE : STRUCTURE BASED DRUG DESIGN OF LUNG CANCER EGFR PROTEIN INHIBITORS  
AUTHORS : Ravikumar M.      Jeyanthi Rebecca L.      Xavier Suresh M      Ananthi Rachel L.  
DOI : http://dx.doi.org/10.18000/ijabeg.10080  
ABSTRACT :

The epidermal growth factor receptor (EGFR) is under investigation as a therapeutic target for cancers. Lung cancer cell lines are variably dependent on autocrine stimulation of EGFR since it has a role in signal transduction .We therefore examined the effects of a selective EGFR tyrosine kinase inhibitor zd1839 (iressa drug).Using chemskecth I have designed 2 new lead molecules "iressa I, iressa II" on the basis of iressa drug, and compared both compounds by docking it on EGFR protein by using vega zz software. On the basis of energy score I found that iressa I will be more effective inhibitor than iressa II .Further on comparing the ADME properties of iressa I and iressa by using ADME tool, I found that this new drug having fluorine molecule in place of chlorine molecule will act as more efficient inhibitor than original iressa drug to block the activity of EGFR protein and stop signal transduction. This new drug which I named as iressa I is an effective inhibitor and can be test for its effectiveness in clinical trials to cure lung cancer.

Keywords: Pneumonetomy, chemotherapy, radiotherapy


 
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