ArticleArchives of toxicology2026
Development of novel 2-[(8-hydroxyquinolin-7-yl)(phenyl)methylamino]benzoic acid derivatives for inhibiting the catalytic activity of botulinum neurotoxins type B and F: in silico, in vitro & in vivo evaluation.
Article in Archives of toxicology, 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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Abstract
Botulinum neurotoxins (BoNTs) are the most pernicious toxin and category 'A' bioterrorism agent, responsible for 'botulism', a rare but fatal disease. Toxins are divided into seven toxinotypes from A-G, where A, B, E, and F are accountable for human botulism. The available treatment strategies are inadequate and ineffective for post-neuronal intoxication. We report novel 2-[(8-hydroxyquinolin-7-yl)(phenyl)methylamino]benzoic acid derivatives targetingthe catalytic site of VAMP-acting serotypes (BoNT/B and F). Inhibitory potential of the synthesized compounds was studied using a framework of in silico and experimental approaches. Inhibitory activity and binding affinity were evaluated using substrate-based cleavage and SPR assays. Compound efficacy was tested in mice through pre-mixed, prophylactic, and therapeutic strategies. Molecular dynamics simulations analyzed binding interactions, structural fluctuations, and complex stability. Endopeptidase assay revealed that the selected compounds displayed ≥ 80% inhibition of BoNT/B and F catalytic activity, with IC
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