2-Oxomethylcytisine Derivatives with Potential Anti-Coronavirus Activity

2-Oxomethylcytisine Derivatives with Potential Anti-Coronavirus Activity

Diels−Alder β -endo adducts of 2-oxomethylcytisine and N -substituted maleimides were synthesized. Their ability to interact with the 6LU7 active site of SARS-CoV-2 main protease Mpro was evaluated in silico . The tested compounds included the potential anti-coronavirus agent (3aR,4S,8S,12S,12aS,12b...

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Veröffentlicht in:Chemistry of natural compounds 2024-07, Vol.60 (4), p.683-687
Hauptverfasser: Koval′skaya, A. V., Lobov, A. N., Tsypyshev, D. O., Lin, Ch.V., Tsypysheva, I. P.
Format: Artikel
Sprache:eng
Schlagworte:
active sites
Adducts
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
computer simulation
cycloaddition reactions
ligands
Organic Chemistry
Plant Sciences
proteinases
Severe acute respiratory syndrome coronavirus 2
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Zusammenfassung:Diels−Alder β -endo adducts of 2-oxomethylcytisine and N -substituted maleimides were synthesized. Their ability to interact with the 6LU7 active site of SARS-CoV-2 main protease Mpro was evaluated in silico . The tested compounds included the potential anti-coronavirus agent (3aR,4S,8S,12S,12aS,12bR)-2-(3-methoxyphenyl)-10-methyl-3a,7,8,9,10,12b-hexahydro-1H-4,12a-etheno-8,12-methanopyrrolo[3′,4′:3,4]pyrido[1,2-a][1,5]diazocine-1,3,5,11(2H,4H,12H)-tetrone, which had calculated characteristics exceeding those of the reference ligand tideglusib.
ISSN:0009-3130
1573-8388
DOI:10.1007/s10600-024-04411-6