BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDIES OF LINKED ZEIN NANOPARTICLES

Abstract

Linked zein nanoparticles (LZNPs) are considered to be the promising biopolymeric
nanocarrier because of its biocompatibility, stability, and the potential of the
nanocarrier to deliver drugs more efficiently. LZNPs were produced and their biological
properties and molecular docking were thoroughly examined in this work. LZNPs were
evaluated as cytotoxic to cancer cell lines and found to have a significant dose- dependent
inhibitory effect with a better IC50 than native zein nanoparticles. The uptake by cells
was confirmed to be efficient, thus their applicability in targeted delivery. Also,
antioxidant and antimicrobial tests demonstrated significant biological activity, which
demonstrates the multifunctional characteristics of LZNPs. Molecular docking
experiments were conducted to examine the interaction of LZNP- associated bioactive
compounds with the target proteins of interest in cancer progression. The docking
products displayed high binding affinities and this was backed by the hydrogen bonding
and the hydrophobic interaction and therefore indicated a stable ligand–protein complex
formation. Altogether, this work proves that LZNPs have more favorable biological
activity and favorable interactions on a molecular level and can be used as a promising
option in nanomedicine in the future, especially in cancer treatment and targeted drug
delivery systems.