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SYNTHESIS, SPECTROSCOPIC CHARACTERIZATIONS AND MOLECULAR MODELING STUDIES OF 2-(2-(2,2,2- TRIFLUOROETHOXY)-5-SUBSTITUTEDPHENYL)-5-(3- SUBSTITUTEDPHENY
C. Rajalakshmi, N. Santhi

Published in: International Journal of Current Engineering And Scientific Research ( IJCESR)
Volume- 4, Issue-11, pp.58-67, Nov 2017
DPI :-> 16.10046.IJCESR.2017.V4I11.5867.2189



Abstract
In the present study, synthesis and antimicrobial activity of 2,5- disubstituted 1,3,4-oxadiazole derivatives 3a-g are described. The structures of the newly synthesized compounds were confirmed by FTIR, 1H NMR and 13C NMR. In-vitro antibacterial activity was evaluated against staphylococcus aureus bacterial strain for all target compounds. In order to findout the affinity to bacterial proteins docking study were performed for seven synthesized derivatives, two antibiotic drug and cocrytallised ligands with different mechanism of action DNA gyrase B and Methylthioadenosine / SAdenosylhomocysteine Nucleosidase (MTAN) using AutoDock 4.2. The in vitro antibacterial activity results and docking studies indicated that the synthesized compounds have potential antibacterial activity and can be further optimized as privileged scaffolds to design and develop potent antibacterial drugs.

Key-Words / Index Term
1,3,4-Oxadiazole , synthesis, docking, DNA Gyras, MTAN, antibacterial activity

How to cite this article
C. Rajalakshmi, N. Santhi , “SYNTHESIS, SPECTROSCOPIC CHARACTERIZATIONS AND MOLECULAR MODELING STUDIES OF 2-(2-(2,2,2- TRIFLUOROETHOXY)-5-SUBSTITUTEDPHENYL)-5-(3- SUBSTITUTEDPHENY”, International Journal of Current Engineering And Scientific Research ( IJCESR), 4, Issue-11, pp.58-67, Nov 2017. DPI:16.10046.IJCESR.V4.I11.2189