Molecular dynamics study of the interaction between RNA-binding domain of NS1 influenza A virus and various types of carbon nanotubes

Abstract

Adsorption of biomolecules on the surface of carbon nanotubes (CNTs) is important in biological fields. Given the fact that RNA-binding domain (RBD) of NS1 protects the virus against antiviral materials, molecular dynamics simulation was employed to study the adsorption of RBD on the surface of CNTs. It was observed that RBD has a greater tendency to chiral CNTs. The results of R g (radius of gyration), root mean square fluctuation, hydrogen bonds, and secondary structure analysis indicate that the main chain of RBD is strongly stretched and CNT can function as a good adsorbent for RBD.