Credille CV, et al. Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J Med Chem. 2018 Oct 16
Metalloenzymes represent an important target space for drug discovery. A limitation to the early development of metalloenzyme inhibitors has been the lack of established structure-activity relationships (SARs) for molecules that bind the metal ion cofactor(s) of a metalloenzyme. Herein, we employed a bioinorganic perspective to develop an SAR for inhibition of the metalloenzyme influenza RNA polymerase PAN endonuclease. The identified trends highlight the importance of the electronics of the metal-binding pharmacophore (MBP), in addition to MBP sterics, for achieving improved inhibition and selectivity. By optimizing the MBPs for PAN endonuclease, a class of highly active and selective fragments were developed that display IC50 values <50 nM. This SAR led to structurally distinct molecules that also displayed IC50 values of ~10 nM, illustrating the utility of a metal-centric development campaign in generating highly active and selective metalloenzyme inhibitors.
See Also:
Latest articles in those days:
- Dairy producers´ perceptions of highly pathogenic avian influenza (HPAI) H5N1 and their influence on implementation of biosecurity changes 22 hours ago
- Genetic Characterization of Highly Similar H9N2 Viruses Isolated from Swine and Poultry in China 22 hours ago
- Influenza disease burden investigation and cost-effectiveness analysis based on system dynamics model 1 days ago
- Descriptive analysis of dairy cow imports from the United States into Ontario, Canada between 2009 and 2019: implications for the risk of H5N1 introduction 1 days ago
- Pre-existing cross-subtype serological responses against H5Nx in health care workers 1 days ago
[Go Top] [Close Window]


