Título:
Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents
Resumen:
ynthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The inhousedeveloped multicomponent reaction based on commercially available starting materials was applied andbroad biological screening against various viruses was performed, showing promising antiviral properties forcompounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified thekey molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential tothe intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of thepotential antiviral derivatives.