Computer-generated mimetics with endostatin coordinates

摘要

A detailed map of atomic coordinates of active mammalian endostatin is used in a computer-based method to identify mimics having endostatin coordinates. Based on the coordinates, the computer will identify compounds having atomic coordinates with non-trivial similarity to selected coordinates of atoms of a mammalian endostatin. The method includes: a) providing a library of atomic coordinates of compounds in a library of candidate compounds; b) comparing the library atomic coordinates to the selected coordinates of a mammalian endostatin; and c) selecting from the library at least one candidate compound on the basis of selection criteria which include similarities between the atomic coordinates of the selected candidate compound and the atomic coordinates of the mammalian endostatin.