INVESTIGAÇÃO IN SILICO DO POTENCIAL CARCINOGÊNICO DE SULFONAMIDAS COM NÚCLEO TRIAZÍNICO
Abstract
As sulfonamidas são compostos amplamente utilizados como fármacos antibacterianos, e estudos recentes sugerem seu potencial herbicida. Entretanto, interações não intencionais com proteínas humanas podem representar riscos à saúde. Este trabalho teve por objetivo avaliar, por meio de abordagens in silico, o potencial carcinogênico de sulfonamidas contendo anel triazínico. Para isso, realizou-se triagem toxicológica no servidor ProTox 3.0 e predição de alvos biológicos no PharmMapper, a fim de identificar vias relacionadas à carcinogênese. As análises indicaram oito possíveis alvos biológicos, incluindo a catepsina B, RAP1, PLA2 e CDK2, proteínas-chave em processos como integridade cromossômica, inflamação e regulação do ciclo celular (Hardy et al., 1992; Nakanishi, 2020; Alekseeva & Boldyrev, 2020; Tadesse et al., 2020; Shen & Li, 2022; Balboa & Balsinde, 2021; Kalra et al., 2023; Sagar et al., 2024). A interação das sulfonamidas com esses alvos pode comprometer funções protetoras e favorecer a progressão tumoral. Desta maneira, embora apresentem potencial herbicida, as sulfonamidas também podem estar associadas a riscos carcinogênicos, reforçando a necessidade de estudos complementares de segurança toxicológica.
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