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Novel 5-Nitro Isatin derivatives as DNA Gyrase inhibitors: synthesis, anti-microbial evaluation, molecular docking, ADMET predictions and QSAR studies

walaa S El-serwy, Neama A Mohamed, Emad M. M Kassem, Eman S Nossier, Al Shimaa G Shalaby


Novel series of 5-nitroindoline-2-ones was synthesized starting from 5-nitroindoline-2,3-dione 2 and 2-(5-nitro-2-oxoindolin-3-ylidene)hydrazine-1 carbothioamide 3. Compounds were evaluated for their antimicrobial activities. The data showed that compounds 2 and 6b have excellent antimicrobial activities against the two tested strains of G+ve bacteria Staphylococcus aureus and Streptococcus and E. coli when compared with the standards. Furthermore, in-vitro enzyme assay and molecular docking studies were performed for the compounds 2 and 6b against E. coli DNA gyrase B. Prediction of ADMET properties and QSAR study of compounds was carried out respectively.


Anti-bacterial; Anti-fungal; Antimicrobial; E. coli; DNA gyrase B; Molecular docking;

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ISSN 2347–9825

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