DrugScreen is a virtual screening web server used for repurposing drugs. It can identify automatically the binding pocket and the grid center using AutoDockTools and perform flexible docking using Autodock Vina. DrugScreen provides a chemical library containing 1806 US Food and Drug Administration (FDA)-approved drugs and allows users to screen some molecules interacting with
a new protein target from FDA-approved drugs. Users only need to enter a PDB ID or to upload the structure file of a protein and the structure file of its ligand to complete a virtual screening on DrugScreen.
3D views of docking results:
||MDM2: E3 ubiquitin-protein ligase Mdm2
||FA10: Coagulation factor X