Molecular modelling, thermal, adsorption and biological studies of conjugate Cu2+-BSA nanoparticles

Abstract

The bovine serum albumin nanoparticles (BSA-NPs) were prepared using desolvation process, in an aqueous medium with acetone as a desolvating agent. The BSA nanoparticles were found within 50 to 75 nm range confirmed by dynamic light scattering and scanning electron microscope. The interaction of prepared BSA-NPs with Cu2+ yielded Cu2+ conjugated BSA-NPs (Cu-BSA-NPs) analyzed by the same techniques. Both have been studied for their comparative thermal and dye adsorption analysis where the later was found 40% greater for Cu-BSA-NPs than BSA-NPs. Molecular modelling showed the methylene blue and methyl orange interactions into the active pocket of BSA with H-acceptor with ΔGb = −1.8 and −3.0 kcal/mol respectively. Similarly the Cu-BSA-NPs have shown better DNA binding and antioxidant activities as compared to BSA-NPs estimated through absorption spectra and free radical mechanism. Presence of metal ion has facilitated the BSA NPs for trapping the free radicals in its hydrophobic as well as hydrophilic domains. Both have also been tested in vitro against MCF (Breast cancer) cell line for their anticancer nature where Cu-BSA-NPs have been found more effective. Antimicrobial in vitro minimal inhibitory concentration (MIC) evaluation has been assessed on the basis of zone of inhibition with gram +ve and gram -ve bacteria B. cereus (MTCC430), S. aureus (MTCC 737), and E.coli (MTCC443), K. pneumonia (MTCC3384) respectively. The association of Cu2+ has impacted more in growth inhibition of bacteria.