ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins. MTT anticancer assay revealed that, the test compounds, peptide YSFGL and doxorubicin showed significant IC value (µM) of 26.417±0.660 and 7.675±0.278 respectively which are compared with the lapatinib standard IC value (µM) of 2.380±0.357 against A549 cells and IC value (µM) of 39.047±0.770 and 8.313±0.435 respectively which are compared with the lapatinib standard IC value (µM) of 3.026±0.180 against MDA-MB-231 cells.
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