Synthesis, biological evaluation and molecular modeling of a novel series of fused 1,2,3-triazoles as potential anti-coronavirus agents

Synthesis and biological evaluation of a novel library of fused 1,2,3-triazole derivatives are described. The in-house developed multicomponent reaction based on commercially available starting materials was applied and broad biological screening against various viruses was performed, showing promising antiviral properties for compounds 14d, 14n, 14q, 18f and 18i against human coronavirus 229E. Further in silico studies identified the key molecular interactions between those compounds and the 3-chymotrypsin-like protease, which is essential to the intracellular replication of the virus, supporting the hypothesis that the protease is the target molecule of the potential antiviral derivatives.

Bibliographic Details

Main Authors:	Karypidou, Konstantina, Ribone, Sergio Roman, Quevedo, Mario Alfredo, Persoons, Leentje, Pannecouque, Christophe, Helsen, Christine, Claessens, Frank, Dehaen, Wim
Format:	article biblioteca
Language:	spa
Published:	2018-11
Subjects:	Covid 19, Coronavirus, Respiratory syndrome, 3CL protease, 1,2,3-triazole, Biological evaluation,
Online Access:	https://doi.org/10.1016/j.bmcl.2018.09.019 http://hdl.handle.net/11086/19824 https://www.sciencedirect.com/science/article/abs/pii/S0960894X18307509?via%3Dihub
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