Molecular docking studies on fluoro-substituted chalcones as potential DprE1 enzyme inhibitors

Abstract

In this study, docking studies were performed on a series of fluoro-substituted chalcones (E1–E7, Z1-Z7, H1–H7) with DprE1 enzyme inhibition activities. The results showed that both the positions of the substituents and the type of chalcones seemed to be critical for their inhibition against DprE1. Chalcone derivatives exhibited binding affinity values of