Size and Flexibility Define the Inhibition of the H3N2 Influenza Endonuclease Enzyme by Calix[n]arenes
oleh: Yannick Tauran, José Pedro Cerón-Carrasco, Moez Rhimi, Florent Perret, Beomjoon Kim, Dominique Collard, Anthony W. Coleman, Horacio Pérez-Sánchez
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2019-06-01 |
Deskripsi
Inhibition of H3N2 influenza PA endonuclease activity by a panel of anionic calix[n]arenes and β-cyclodextrin sulfate has been studied. The joint experimental and theoretical results reveal that the larger, more flexible and highly water-soluble sulfonato-calix[n]arenes have high inhibitory activity, with para-sulfonato-calix[8]arene, SC8, having an IC<sub>50</sub> value of 6.4 μM. Molecular docking calculations show the SC8 can interact at both the polyanion binding site and also the catalytic site of H3N2 influenza PA endonuclease.