The discovery of aurora kinase inhibitor by multi-docking-based virtual screening.

ABSTRACT: We report the discovery of aurora kinase inhibitor using the fragment-based virtual screening by multi-docking strategy. Among a number of fragments collected from eMololecules, we found four fragment molecules showing potent activity (>50% at 100 μM) against aurora kinase. Based on the explored fragment scaffold, we selected two compounds in our synthesized library and validated the biological activity against Aurora kinase.

SUBMITTER: Kim JT 

PROVIDER: S-EPMC4264174 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature