C-Met and Her2/neu are members of the tyrosine kinase protein family. They have a relation in many kinds of cancer. We took the templates of C-Met and Her2/neu from Protein Data Bank, and modeled the protein structures. Then, we used the software(Accerlrys) to find the ATP-binding sites to dock with several compounds. To inhibit proliferation on cells, we used the property of the compounds inhibit with ATP combine with the site to terminate phosphorylation of tyrosine kinase. After the calculation from computer, we got the interaction energy, the results show that D50300401Z01, D50300601Z01, D50306701Z01, D50307201Z01, D50308501Z01 could have lower interaction energy on C-Met and Her2/neu. And we presumed such compounds may be use for the anti-tumor agents.
