Synthesis, Docking, and Biological Activity of Chalcone and Metal Complexes

This study investigates the synthesis and characterization of chalcone derivatives and their metal complexes, focusing on their potential pharmacological activities and antibacterial effects. Specifically, the research explores the preparation of 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (R5) chalcone and its complexes with Ni(II), Co(II), and Cd(II). Various physical and spectral techniques were employed for characterization, including FT-IR, UV, and NMR spectroscopy. The antibacterial activity of the synthesized compounds was evaluated against antibiotic-resistant bacterial strains, revealing notable inhibitory effects. Molecular docking studies were conducted to assess the compounds' interactions with the active sites of Pseudomonas aeruginosa protein. Results suggest that the prepared compounds and complexes exhibit promising antibacterial properties and have the potential for further medicinal chemistry applications. This research fills a knowledge gap regarding the synthesis, characterization, and biological activities of chalcone derivatives and their metal complexes, providing insights for future drug discovery efforts in combating bacterial infections.