Synthesis and Design of novel morpholinyl mannich bases for Potential Inhibitory Activity of SARS-CoV-2 Main Protease

نویسندگان

چکیده

In this study, a new mannich base 1-(2H-1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)propan-1-one (Mor) was successfully prepared in good yield. The structure of the title compound elucidated by 1H-NMR, FT-IR, UV-Vis and electron-impact mass spectroscopy. inhibitory activity Mor against SARS-CoV-2 main protease (Mpro) investigated means molecular docking approach. showed excellent binding affinity to active residues Mpro with low score energy. Further improvements results were obtained four designated analogues Mor, characterized introduction different methoxyl hydroxyl substituents. groups significantly improve site 56%, energy -6.3 kcal/mol, as well ability form hydrogen bonds compared nirmatrelvir reference inhibitor.

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ژورنال

عنوان ژورنال: Oriental journal of chemistry

سال: 2023

ISSN: ['0970-020X', '2231-5039']

DOI: https://doi.org/10.13005/ojc/390207