Article3 Biotech2025
Biocompatible synthesis, computational studies and therapeutic evaluation of a dibutyl (2,2-dicyano-1-phenylethyl) phosphonate derivatives targeting oxidative stress, microbial infection and cancer cells.
Article in 3 Biotech, 2025. 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
We synthesized a series of dibutyl (2,2-dicyano-1-phenylethyl) phosphonates using a solvent-free, one-pot reaction catalysed by L-carnitine hydroxide. This green method yielded products in 75-97% yield. Density functional theory analysis showed that these compounds have favourable HOMO-LUMO gaps and enhanced charge transfer, suggesting good nonlinear optical properties. Molecular docking indicated strong binding to key bacterial proteins. In vitro tests confirmed strong antioxidant activity (DPPH IC Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-025-04499-9.
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