Isoquinolinedione-urea hybrids: Synthesis, antibacterial evaluation, drug-likeness, molecular docking and DFT studies

M. Ihsan Han,Cagatay Dengiz,Sengul Diem Dogan,Miyase Gozde Gunduz,Semiha Kopru,Ceren Ozkul

Journal of Molecular Structure（2022）

引用 4|浏览13

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摘要

•Novel isoquinolinedione-urea hybrids were designed and synthesized.•Antibacterial activity evaluation against a wide range of bacteria.•Some compounds were more effective on Staphylococcus aureus strains.•The activity trend was supported by molecular docking studies.•DFT studies illuminated structural properties and the stabilities of the compounds.

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关键词

Homophthalimide,Isoquinoline,Urea,Density functional theory,Molecular modeling,Molecular hybridization

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