Synthesis,evaluation and molecular docking studies of amino acid derived N-glycoconjugates as antibacterial agents |
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| Affiliation: | 1. Laboratory of Molecular Chemistry, Department of Chemistry, Faculty of Sciences Semlalia, University of Cadi Ayyad, PB. 2390, 40001 Marrakech, Morocco;2. Team of Physical Chemistry and Environment, Faculty of Sciences, University of Ibn Zohr, Agadir, Morocco;3. Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, 14000 Kenitra, Morocco;4. Department of Physics, University of Sargodha, 40100, Pakistan;5. Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey;6. Department of Chemistry, Tulane University, New Orleans LA 70118, USA;7. Applied Chemistry and Environment Laboratory, Applied Bioorganic Chemistry Team, Faculty of Science, Ibn Zohr University, Agadir, Morocco;8. Laboratory of Heterocyclic Organic Chemistry, Drug Science Research Center, Pharmacochemistry Competence Center, Mohammed V University in Rabat, Faculty of Sciences, Av. Ibn Battouta, BP 1014 Rabat, Morocco |
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| Abstract: | Six amino acid derived N-glycoconjugates of d-glucose were synthesized, characterized and tested for antibacterial activity against G(+)ve (Bacillus cereus) as well as G(−)ve (Escherichia coli and Klebsiella pneumoniae) bacterial strains. All the tested compounds exhibited moderate to good antibacterial activity against these bacterial strains. The results were compared with the antibacterial activity of standard drug Chloramphenicol, where results of A5 (Tryptophan derived glycoconjugates) against E. coli and A4 (Isoleucine derived glycoconjugates) against K. pneumoniae bacterial strains are comparable with the standard drug molecule. In silico docking studies were also performed in order to understand the mode of action and binding interactions of these molecules. The docking studies revealed that, occupation of compound A5 at the ATP binding site of subunit GyrB (DNA gyrase, PDB ID: 3TTZ) via hydrophobic and hydrogen bonding interactions may be the reason for its significant in vitro antibacterial activity. |
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| Keywords: | Glucopyranosylamine Amino acids Antibacterial Kinetics Molecular docking |
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