Abstract

SRC is a vital target in a series of biological process associated with tumor growth and development, including proliferation, neovascularization and metastasis. It is well known that virtual screening has become an integral part of the drug discovery process. Therefore, it is of great significant to identify novel SRC inhibitors by structure-based virtual screening. In this study, we carried out virtual screening and molecular dynamics simulations to identify SRC inhibitors from Food and Drug Administration (FDA)-approved small molecule drugs. We finally identified that ZINC13831150may serveasa potential ‘‘new use’’ agent targeting SRC. Together, our findings may suggest that our discovered small molecules could be effective SRC inhibitor candidates for further study.

Keywords:

Drug development, kinase, kinase inhibitor, SRC, virtual screening,

References

Competing interests

The authors have no competing interests.

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The authors have no competing interests.