ArticleFuture medicinal chemistry2026
Targeting traumatic brain injury via novel tetrahydrocarbazole derivatives:
Article in Future medicinal chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors.
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Abstract
aimThe upregulation of NADPH oxidase 2 (NOX2) and NADPH oxidase 4 (NOX4) contributes to traumatic brain injury (TBI)-induced oxidative stress and neurodegeneration. This study designed, synthesized, and evaluated 19 sulfonamide-substituted tetrahydrocarbazole derivatives as dual NOX2/NOX4 inhibitors. MATERIALS AND
methods
resultsDocking identified N,9-diethyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamide (B1) as lead (NOX2: -6.46 kcal/mol; NOX4: -5.66 kcal/mol), with π-cation (Arg513), hydrogen bonding (Arg446), and π-anion (Asp474) interactions. MD confirmed stability (RMSD ~0.2-0.3 nm, RMSF <0.20 nm). B1 showed balanced inhibition: total NOX IC
conclusionsB1 demonstrates potent, isoform-selective dual NOX2/NOX4 inhibition with drug-like properties (MW 320.45 Da, LogP 3.01, BBB-permeable), offering a promising scaffold for TBI neuroprotection.
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