155135-61-8Relevant articles and documents
Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies
Ghosh, Arun K.,Raghavaiah, Jakka,Shahabi, Dana,Yadav, Monika,Anson, Brandon J.,Lendy, Emma K.,Hattori, Shin-Ichiro,Higashi-Kuwata, Nobuyo,Mitsuya, Hiroaki,Mesecar, Andrew D.
supporting information, p. 14702 - 14714 (2021/10/01)
Here, we report the synthesis, structure-activity relationship studies, enzyme inhibition, antiviral activity, and X-ray crystallographic studies of 5-chloropyridinyl indole carboxylate derivatives as a potent class of SARS-CoV-2 chymotrypsin-like protease inhibitors. Compound 1 exhibited a SARS-CoV-2 3CLpro inhibitory IC50 value of 250 nM and an antiviral EC50 value of 2.8 μM in VeroE6 cells. Remdesivir, an RNA-dependent RNA polymerase inhibitor, showed an antiviral EC50 value of 1.2 μM in the same assay. Compound 1 showed comparable antiviral activity with remdesivir in immunocytochemistry assays. Compound 7d with an N-allyl derivative showed the most potent enzyme inhibitory IC50 value of 73 nM. To obtain molecular insight into the binding properties of these molecules, X-ray crystal structures of compounds 2, 7b, and 9d-bound to SARS-CoV 3CLpro were determined, and their binding properties were compared.
SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS
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Page/Page column 182; 183, (2016/02/29)
The present description relates to substituted polycyclic compounds and forms and pharmaceutical compositions thereof and methods of using such compounds, forms or compositions thereof for treating or ameliorating Neisseria gonorrhoeae and Neisseria meningiditis.
