Synthesis, NMR Studies and Binding Interactions of (2E,2′E)-2,2′-(Propane-1,2- diylidene)bis(N-methylhydrazinecarbothio-amide) with SARS-CoV Main Protease

Abstract

Chloroquine derivatives were one of the medications tested against the coronavirus pandemic in 2020 and they appeared to be effective. In this present work, (2E,2′E)-2,2′-(propane-1,2-diylidene)bis(Nmethylhydrazinecarbothioamide) (PMTSC) has been postulated as a possible antiviral for the treatment of COVID-19 by using 1-Click docking. Compound PMTSC has been synthesized by the condensation reaction between pyruvaldehyde and N-methylthiosemicarbazide. The synthesized PMTSC was confirmed by elemental analysis and NMR spectral study. The binding interaction of PMTSC has been performed with SARS-CoV main protease (PDB code: 2GZ7 and 2GZ8). The docking results showed good binding energies and interactions.