Synthesis, anticancer activity, and molecular simulation of N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)thioureas containing a pyrimidine ring

Abstract

Glucopyranosyl thioureas 7a–k of pyrimidine were the remarkable inhibitors for isoforms hCA IX and XII. 7c and 7d were the most potent ones and also for MCF-7, HepG2, HeLa, and SK-LU-1 cells. Their molecular docking and dynamics simulations were done.