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Synthesis of new bis-furanyl-pyrrolo[3,4-b]pyridin-5-ones via the Ugi-Zhu reaction and docking studies on the main protease (MPro) from SARS-CoV-2
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Academic Editor: Julio A. Seijas
Published:
14 November 2021
by MDPI
in The 25th International Electronic Conference on Synthetic Organic Chemistry
session General Organic Synthesis
Abstract:
The synthesis of the five new bis-furanyl-pyrrolo[3,4-b]pyridin-5-ones 1a-e in 24 to 40% yields through a domino sequence based on the Ugi-Zhu three-component reaction is presented. Then, on the main protease MPro (PDB: 6lu7) from the SARS-CoV-2, the synthesized products and co-crystallized ligands of MPro were in silico evaluated using the docking technique, finding moderate to good binding energies and some interesting interactions, suggesting that some bis-furanyl-pyrrolo[3,4-b]pyridin-5-ones may be used for further in vitro assays against the virus.
Keywords: Ugi-Zhu reaction; Polyheterocycles; Docking; COVID-19; SARS-CoV-2; Main protease MPro
