Discovery of potent inhibitor for matrix metalloproteinase-9 by pharmacophore based modeling and dynamics simulation studies
Ligand based pharmacophore model for MMP-9 has been developed. This pharmacophore model picked up some natural MMP-9 inhibitors. Docking and MD analysis were used to find the potent hit for MMP-9. Inhibition of MMP-9 in the presence of inhibitor was detected by in vitro studies.
pharmacophore modeling docking molecular dynamics simulation mtt gelatin zymography