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Synthesis and molecular docking studies of 3-methyl-1,4-diarylazetidin-2-ones

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Title Synthesis and molecular docking studies of 3-methyl-1,4-diarylazetidin-2-ones
 
Creator S V, Bhuvaneshwari
Mallikarjunaswamy, A M M
Gouthami, Kuruvalli
Sekharappa, Shivakumara
Nair, Vipin A
 
Subject 1,4-Diarylazetidin-2-ones
Molecular docking
β-Lactams
Antibacterial agents
 
Description 1155-1163
The trans isomers of 3-methyl-1,4-diarylazetidin-2-ones have been isolated from the reactions of N-1-diarylmethanimine
with the ketene generated from propionyl chloride via [2+2] cycloaddition protocol. The reaction has been optimised by
varying different parameters such as temperature, solvent and bases. The trans β-lactams are obtained as the major
diastereomers and the structure has been confirmed from the coupling constants of the respective hydrogens from the
1H NMR spectra. The structures of the β-lactams have been elucidated by 1H and 13C NMR spectral techniques and ESI-MS
spectroscopy. The synthesized compounds have been evaluated for their binding affinities. To gain insights into the
mechanism of action, the interactions between the synthesized compounds and the selected microbial target S. aureus DNA
Gyrase B protein have been examined. These investigations have shed light on the potential binding modes of () trans 3-
methyl-1,4-diarylazetidin-2-ones, enhancing our understanding of the mechanism of action.
 
Date 2024-11-20T04:47:44Z
2024-11-20T04:47:44Z
2024-11
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/64884
https://doi.org/10.56042/ijc.v63i11.13328
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.63(11) [November 2024]