Structural, electronic and bioactive profiling of a 2′-hydroxychalcone–Ag composite: a DFT-supported biomedical study on anticancer, antioxidant and antibacterial activities

Key Points

• The study aims to evaluate the structural, electronic, and bioactive properties of a 2′-hydroxychalcone–Ag composite and its biological activities.
• Conducted structural and electronic profiling using Density Functional Theory (DFT) techniques.
• Evaluated biological activities including anticancer, antioxidant, and antibacterial effects.
• Analyzed the interaction of the compound with biological targets.
• The 2′-hydroxychalcone–Ag composite displayed significant anticancer activity against certain cancer cell lines.
• Strong antioxidant properties were observed, suggesting potential for reducing oxidative stress.
• Antibacterial effects were noted against various bacterial strains, indicating possible therapeutic uses.