Surface Adsorption and Molecular Modeling of Biofunctional Gold Nanoparticles for Systemic Circulation and Biological Sustainability

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• 作者：Manoj Kumar Goshisht ; Lovika Moudgil ; Poonam Khullar ; Gurinder Singh ; Aman Kaura ; Harsh Kumar ; Gurinder Kaur ; Mandeep Singh Bakshi
• 刊名：ACS Sustainable Chemistry & Engineering
• 出版年：2015
• 出版时间：December 7, 2015
• 年：2015
• 卷：3
• 期：12
• 页码：3175-3187
• 全文大小：937K
• ISSN：2168-0485

文摘

Fundamental aspects of protein complex coated gold nanoparticles (Au NPs) were presented for their possible use in systemic circulation in terms of pharmaceutical formulations. For this purpose, protein complexes of bovine serum albumin (BSA), lysozyme (Lys), and zein with an industrial important bioactive polymer diethylaminoethyl dextran (DEAE) were studied in the presence of Au NPs. Surface adsorption of such complexes magnified DEAE鈥損rotein interactions which were easily monitored spectroscopically under the effect of temperature and reaction time. In vitro synthesis of Au NPs allowed a simultaneous adsorption of the DEAE鈥損rotein complex on the NP surface to achieve colloidal stability, which was dramatically influenced by the nature of the DEAE鈥損rotein complex. The DEAE鈥揃SA complex demonstrated strong favorable mainly electrostatic interactions followed by DEAE鈥揕ys, while DEAE鈥搝ein interactions were predominantly influenced by the hydrophobic nature of zein. At the molecular level, the interactions were evaluated from the molecular dynamics (MD) studies which focused on the protein surface charge, dihedral angle variations, and protein unfolding upon dextran鈥損rotein complexation as well as its surface adsorption. MD studies further helped us to identify specific amino acid residues which promoted such interactions among the DEAE and protein as well as the surface adsorption of DEAE鈥損rotein complexes and allowed the synthesis of suitable biofunctional Au NPs with interesting bioapplicability with blood cells. Biofunctional NPs coated with DEAE鈥揃SA and DEAE鈥揕ys complexes over the entire mixing range proved to be the best suited vehicles for biomedical applications in systemic circulation.