Figures & data
Figure 1. Schematic representation of integrating stepwise virtual screening and kinase assay to identify potent Rho inhibitors from various natural products.
![Figure 1. Schematic representation of integrating stepwise virtual screening and kinase assay to identify potent Rho inhibitors from various natural products.](/cms/asset/cfd05ae7-b6f4-46d0-ace6-f5533df78b11/iphb_a_970287_f0001_c.jpg)
Figure 2. Re-docking of two inhibitors fasudil (A) and Y-27632 (B) into the active pocket of Rho kinase domain using AutoDock and DOCK methods; the docked conformations were superposed onto corresponding native cocrystallized ligands.
![Figure 2. Re-docking of two inhibitors fasudil (A) and Y-27632 (B) into the active pocket of Rho kinase domain using AutoDock and DOCK methods; the docked conformations were superposed onto corresponding native cocrystallized ligands.](/cms/asset/ac5deecd-0902-4cc5-92c1-46acfd1f343f/iphb_a_970287_f0002_c.jpg)
Figure 3. Plot of DOCK, AutoDock, and QSAR scores against experimental activity pIC50 for the six sophisticated Rho inhibitors.
![Figure 3. Plot of DOCK, AutoDock, and QSAR scores against experimental activity pIC50 for the six sophisticated Rho inhibitors.](/cms/asset/1861b54a-23ea-449b-999c-ea6e7d6eb110/iphb_a_970287_f0003_c.jpg)