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
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Creator |
S V, Bhuvaneshwari
Mallikarjunaswamy, A M M Gouthami, Kuruvalli Sekharappa, Shivakumara Nair, Vipin A |
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Subject |
1,4-Diarylazetidin-2-ones
Molecular docking β-Lactams Antibacterial agents |
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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. |
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Date |
2024-11-20T04:47:44Z
2024-11-20T04:47:44Z 2024-11 |
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Type |
Article
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Identifier |
2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/64884 https://doi.org/10.56042/ijc.v63i11.13328 |
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Language |
en
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Publisher |
NIScPR-CSIR, India
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Source |
IJC Vol.63(11) [November 2024]
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