Identification, synthesis, and evaluation of new neuraminidase inhibitors
Vathan Kumar1, Chih-Kang Chang, Kian-Pin Tan
1Taiwan International Graduate Program, Academia Sinica , Taipei 115, Taiwan.
Organic Letters
|September 18, 2014
Abstract:
High-throughput screening was performed on ∼6800 compounds to identify KR-72039 as an inhibitor of H1N1 and H5N1 neuraminidases (NAs). Structure-activity relationship studies led to 3e, which inhibited H5N1 NA with an IC50 of 2.8 μM and blocked viral replication. Docking analysis shows that compounds bind to loop-430 around the NA active site. Compound 3l additionally inhibited H7N9 NA, making it a dual inhibitor of N1- and N2-type NAs.
