M. V. Raimondi

In silico-guided design, synthesis and in vitro evaluation of thiazolo-pyridines targeting SARS-CoV-2 Nsp13.

In the search for novel antiviral agents targeting SARS-CoV-2 non-structural protein 13 (Nsp13), we applied an integrated in silico drug design workflow combining ADME profiling, molecular interaction field analysis, molecular docking and thermodynamic evaluations to identify thiazolo-pyridine derivatives as promising...