Molecular Modelling, Molecular Docking, Molecular Dynamic Simulations, MM-GBSA Study, and Pharmacokinetics Prediction of New Isatin-Sulfonamide Derivatives as Selective Carbonic Anhydrase CA IX Inhibitors
Hypoxia within solid tumors triggers upregulation of carbonic anhydrase IX (CA IX), a key enzyme that maintains pH homeostasis and supports tumor survival, invasion, and therapy resistance. Selective CA IX inhibition is considered a promising anticancer strategy, but current inhibitors often lack isoform selectivity. T...