Exploring Potential VEGF Receptor 2 Inhibitors: A Molecular Modeling and Pharmacophore-Based Screening Approach

With the aim of identifying additional new ligands or acquiring novel information to craft potent drugs for the VEGF Receptor 2, the focus of this study was to point to this macromolecule as to a possible target for selective modulators or inhibitors. Using the Pharmit server, pharmacophore-based screening of about 450 million compounds was performed, yielding candidate ligands evaluated through molecular modeling tools such as molecular docking, molecular dynamics, and 3D quantitative structure–activity relationship analysis.