ArticleArchives of toxicology2026
The nitrovinyl moiety determines the cyto- and genotoxic profiles of β-nitrostyrene derivatives: evidence from in silico and in vitro 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
β-Nitrostyrene, an important intermediate in chemical industry, shows relevant anti-proliferative and pro-apoptotic potential and has thus been suggested for potential use in tumor chemotherapy. If not derivatized, β-nitrostyrene is however, highly reactive and possess (geno)toxic potential. To decipher structural elements relevant for biological activity, crucial for both, chemical risk assessment and potential drug development, a panel of nine structural derivatives of β-nitrostyrene, was put together. It included structures with and without nitrovinyl moiety and was based on fingerprint similarity, QSAR-based mutagenicity alerts, and literature reports. It comprised simple structures like styrene and more complex structures such as 2-methoxy-5-[(E)-2-nitroethenyl]phenol. In vitro experiments in human WS1 and mouse L5178/TK
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