Method for identifying inhibitors for apopain based upon the crystal structure of the apopain: Ac-DEVD-CHO complex

摘要

The apopain:Ac-DEVD-CHO complex has been crystallized and its structure determined by x-ray crystallography. Based upon this crystal structure of the complex, a method for identifying inhibitors of apopain is presented which comprises designing putative inhibitors having specific contacts with apopain, making the putative inhibitors, and testing the putative inhibitors for their ability to inhibit apopain.