Substituted benzo[d]thiazole sulfonyl thioureas were synthesized. They exhibited antimicrobial activity, with some inhibiting Staphylococcus aureus DNA gyrase, DNA Topo IV, and dihydrofolate reductase. IFD, MM-GBSA and MD were performed on 6d/2XCS of S. aureus.
Novel sulphonyl thiourea derivatives (7a–m) containing a 4,6-diarylpyrimidine moiety exhibited remarkable dual inhibitory activity against human carbonic anhydrase hCA I, II, IX and XII isoenzymes and cancer cell lines HepG2, HeLa, and A549.
Substituted thioureas with 1,3-thiazole and D-glucose were gained from 2-amino-1,3-thiazoles and glucopyranosyl isocyanate. They had antimicrobial activity, some inhibiting S. aureus DNA gyrase, DNA Topo IV, and dihydrofolate reductase. IFD, MM-GBSA and MD were performed.
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.
D-Glucose-conjugated thioureas from 2-aminopyrimidines had inhibitory activity against α-amylase, α-glucosidase, DPP-4, PTP1B. The cytotoxicity, inhibitory kinetics, and molecular simulations of the most potent inhibitors 8k, 8j, 8f, and 8h were studied.