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Design, synthesis, characterization and in vitro evaluation of some novel thiol-substituted 1,3,4-oxadiazoles as GlmS inhibitors

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Title Design, synthesis, characterization and in vitro evaluation of some novel thiol-substituted 1,3,4-oxadiazoles as GlmS inhibitors
 
Creator NS, Roshan
J, Srikanth
Swaminathan, Gomathi
J, Rebekal
R, Kannan
G, Narasimha Rao
 
Subject Antibacterial
GlmS
Molecular docking
Oxadiazole
Spectral studies
 
Description 148-155
The development of novel medications with previously unidentified action mechanisms is required due to the increasing
in antibiotic resistance amongst dangerous microbes. The major goal of the research was to develop in silico and in vitro
antibacterial methods for designing an active thiol substituted oxadiazole inhibitor targeting gram-negative and grampositive
bacteria's GlmS receptor. 1,3,4-Oxadiazole was proposed as a scaffold, and the possibility of its synthesis was
examined. The least amount of free energy in the ligand configurations was chosen. Analyses of the novel molecules'
characteristics were done using ADMET studies. There were four distinct reactions used in the synthesis processes. As the
first reagent, substituted carboxylic acids were utilized. Synthesized compounds were characterized by spectral studies and
minimum inhibitory concentration was evaluated by in vitro antibacterial examinations of synthesized compounds.
Ciprofloxacin served as the study's reference drug. Based on in vitro studies and in silico molecular docking, ROS1-4
established strong binding energy, while ROS3 revealed significant antibacterial activity. These findings support the
hypothesis that the proposed scaffold significantly inhibits the GlmS receptor protein.
 
Date 2023-01-25T06:36:40Z
2023-01-25T06:36:40Z
2023-01
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/61247
https://doi.org/10.56042/ijbb.v60i2.70710
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJBB Vol.60(02) [February 2023]