Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Abstract
Synthesis, Docking, and Antibacterial Activity of Some Novel 4-Substituted s-triazino[1,2-a]benzimidazoles
Author(s): Yousry A. Ammar, Hend M. El-Sehrawi, Heba S. A. El-Zahabi, Taghreed Z. Shawer and Magda M. F. IsmailTwo novel series of 2-amino-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazoles, and 2-amino-4,4-disubstituted/- spiro[1,3,5]triazino[1,2-a]benzimidazoles were synthesized and evaluated for their in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli. Molecular modeling and docking of the synthesized compounds into enoyl acyl carrier protein reductase (FabI) complexed with its bound inhibitor using Molsoft ICM 3.4-8C program was performed. Among the tested compounds, 2 and 16 were the most potent antibacterial (MIC = 25 ug/ml). Detailed synthesis, spectroscopic and biological data are reported.
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