Her2/neu and C-Met are protein that belong to receptor tyrosine kinase subfamily.Her2/neu is a human epidermal growth factor receptor, and C-Met is hepatocyte growth factor receptor. When growth factor binds to the receptor, that cause phosphorylation of tyrosine kinase, the response through cell membrane into cell nucleus to stimulate mitosis that cause tumor cell proliferation. Inorder to inhibit cancer, we employed molecular docking simulation to find best inhibitor to inhibit Her2/neu or C-Met over-expression. In this experiment, we used several compounds to dock into receptors that were modeled by program (Accelrys) comparative modeling. In the preliminary result analysis, we calculated all interaction energy of 23 compounds, then we discovered D50300401Z01, D50300601Z01, D50307201Z01 have better binding conditions on Her2/neu than C-Met. But D50306701Z01, D50308501Z01 have no better binding conditions on Her2/neu, oppositely their binding conditions better in C-Met. Following the result, we could predict D50300401Z01, D50300601Z01, D50307201Z01 that could become better anti-tumor drugs on Her2/neu than C-Met.
