Design, synthesis, characterization, molecular docking, MM-GBSA analysis, and molecular dynamics simulation of novel coumarin-hydrazone derivatives as potential carbonic anhydrase inhibitors
Tumor-associated carbonic anhydrases (CAs), particularly CA IX and CA XII, are relevant molecular targets because of their role in pH regulation within the tumor microenvironment. In this study, six coumarin-based hydrazide-hydrazone derivatives (AT1–AT6) were designed and synthesized from 6-aminocoumarin through chl...