Investigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug design (original) (raw)

This study investigates the solvent effects and NMR (Nuclear Magnetic Resonance) shielding tensors of the p53 tumor-suppressor gene, focusing on the implications for drug design. It highlights the significance of hydrogen-bonding interactions within the CUA sequence, particularly concerning point mutations that can lead to cancer. Both theoretical calculations and experimental data are utilized to understand how different solvents influence NMR parameters, thereby providing insights crucial for the development of pharmaceuticals targeting the p53 gene.