Green Synthesized Al₂O₃ Nanocatalyst for Efficient Synthesis of Nicotinonitrile Derivatives: Catalytic Performance, Antimicrobial Activity and In-Silico Evaluation
Abstract
Abstract An efficient and environmentally benign Al₂O₃ nanoparticle-catalyzed protocol was developed for the synthesis of nicotinonitrile derivatives under mild reaction conditions using an ethanol–water solvent system. The Al₂O₃ nanoparticles were synthesized through a green approach using Coccinia indica leaf extract and characterized by XRD, SEM, EDS, FTIR and BET analyses. The developed catalytic protocol afforded excellent yields (88–96%) within short reaction times (18–40 min) and demonstrated broad substrate scope, high catalytic activity and recyclability. The synthesized nicotinonitrile derivatives were further evaluated for antimicrobial activity against S. aureus, B. subtilis, P. aeruginosa, and E. coli, showing promising antibacterial efficacy. Molecular docking studies against bacterial DNA gyrase B enzyme supported their potential antimicrobial mechanism, while in-silico ADMET analysis indicated favorable drug-likeness and toxicity profiles. The study demonstrates a sustainable nanocatalytic approach for the synthesis of biologically active nicotinonitrile derivatives.
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