One pot multi component synthesis of novel functionalized pyrazolo furan-2(5H)-one derivatives, DFT, molecular docking, pharmacophore studies, and in vitro screening for inhibition of COVID-19
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-23 (Mpro-x10575) Descript
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57473948 (A71EV2A-x1292
Poxvirus genome replication and viral maturation require a Holliday junction resolvase. Genetic evidence suggests that targeting the virally encoded resolvase could offer a novel antiviral approach ag
An example of homogeneous Mo-catalyzed direct N-alkylation of anilines or nitroarenes with alcohols is presented. The DFT aimed design suggested the easily accessible bis-NHC-Mo(0) complex features
