Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock

The urokinase plasminogen activator receptor (uPAR) is a glycosylphosphatidylinositol (GPI) membrane-anchored receptor that binds the serine protease urokinase plasminogen activator (uPA). That uPAR plays an important role in determining malignancy of most human tumours based on a large number of experimental studies of both human cancers. A set of 5 inhibitors were taken for docking studies with 1OWD structure. These 5 small molecules are tested in wet lab for their activity. Docking analysis on a set of urokinase plasminogen activator inhibitors resulted in excellent correlation with experimental values. That is active molecule is identified as active and similarly with moderate actives and inactive.