ArticleBioMed research international2026
Synthesis, Characterization, Antimicrobial Activity, Docking, and In Silico ADMET Analysis of Some New 2,3-Dihydrobenzo[b][1,4]thiazepine Derivatives.
Article in BioMed research international, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Synthesis, Characterization, Antimicrobial Activity, Docking, and In Silico ADMET Analysis of Some New 2,3-Dihydrobenzo[b][1,4]thiazepine Derivatives.BioMed research international · 2026Article
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11 authors.
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Abstract
A series of 2,3-dihydrobenzo[b][1,4]thiazepine derivatives have been synthesized and characterized using IR, NMR, GC-MS and microanalysis. The compounds were found to exhibit variable activity against Escherichia coli, Klebsiella pneumoniae, Enterococcus faecalis and Salmonella typhi with MIC values ranging from 1.88-15 mg/mL. The best activity was observed in compounds 4 and 6 with MIC of 1.875 mg/mL against E. faecalis. Compound 6 was also the most active against S. aureus with MIC of 1.875 mg/mL. The in silico computational docking revealed that the compounds have excellent binding to both multiple targets of E. coli and Staphylococcus aureus dihydrofolate reductase enzymes (PDB ID: 6XG5 and 6P9Z) and good binding to the S. aureus dihydropteroate synthase enzyme (PDB ID: 1ad4). The computational pharmacokinetic study showed that the highly orally bioavailable compounds were not P-gp (p-glycoprotein substrate). The compounds were found to be excellent hERG blockers.
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