Supramolecular Helicate Nanocylinders for Targeting Nucleic Acid Structures in Viruses

RNA is known to exhibit a wide range of conformations in cells such as junctions, bulges, pseudoknots and G-quadruplexes, amongst others. Most of these structures are essential to proper functioning of the RNA in the cell. Supramolecular helicate cylinders have been shown to exhibit good binding to junctions and bulges by inserting into their cavities. In the case of junctions, this binding leads to a stabilisation of the structure. It has been shown that this can be exploited for targeting RNA structures in viruses. This project intends to understand the binding of different types of cylinders to different types of nucleic acid structure in more detail at the molecular level using molecular dynamics simulations and biophysical analysis techniques, in order to better predict the binding abilities and ultimately the antiviral activity. In addition, this project will seek to gain insight into how exactly the cylinders act in cells to combat viruses through in vivo cell studies.