Acrosin structure-based design, synthesis and biological activities of 7-azaindol derivatives as new acrosin inhibitors

Abstract A series of 7-azaindol derivatives were designed based on the homologous 3D model of human acrosin. These compounds were synthesized and evaluated for their human acrosin inhibitory activities in vitro . Compounds 7a , 7i , 7j , 7k and 7n showed highly inhibitory activity against human acrosin. The three-dimensional structure–activity relationship was investigated through a CoMFA model, which provided valuable information to further study of potential human acrosin inhibitors.