2-Oxomethylcytisine Derivatives with Potential Anti-Coronavirus Activity

期刊论文
发表日期：

2024年7月1日

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A. V. Koval′skaya,
A. N. Lobov,
D. O. Tsypyshev,
Ch.V. Lin,
I. P. Tsypysheva

摘要

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.