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- W4386438950 abstract "Abstract Benzothiazinones (BTZs) have widely inspired medicinal chemistry and translational research due to their remarkable antitubercular potency and clinical potential. While most structure–activity relationship campaigns have largely focused on lateral chain modifications and substituents on the BTZ core, scaffold hopping strategies have been rarely investigated previously. In this work, we report the first example of ring expansion of the BTZ core toward benzofuran‐ and naphthalene‐fused thiazinones. In vitro testing showed micromolar activity for both compounds, and molecular docking simulations provided insights into their reduced inhibitory capacity toward the enzymatic target (DprE1). Calculated electrochemical potentials revealed a lower susceptibility to reduction as opposed to BTZ drug candidates, in line with the mechanistic requirement for covalent binding." @default.
- W4386438950 created "2023-09-06" @default.
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- W4386438950 date "2023-09-04" @default.
- W4386438950 modified "2023-09-30" @default.
- W4386438950 title "Design and synthesis of benzofuran‐ and naphthalene‐fused thiazinones as antimycobacterial agents" @default.
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- W4386438950 doi "https://doi.org/10.1002/ardp.202300356" @default.
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