In silico design, 2D-QSAR study, pharmacophore modeling and molecular docking of novel glutaminyl cyclase inhibitors

This study aimed to design novel Glutaminyl Cyclase (QC) inhibitors based on 2D-QSAR study, ligand-based pharmacophore modeling and molecular docking. A 2D-QSAR model was developed from a dataset of 1681 QC inhibitors by using Support Vector Regression (SVR) algorithm with 256-bit Morgan fingerprints.