具有潜在抗冠状病毒活性的 2-氧甲基胞嘧啶衍生物

IF 0.8 4区化学 Q4 CHEMISTRY, MEDICINAL

Chemistry of Natural Compounds Pub Date : 2024-08-06 DOI:10.1007/s10600-024-04411-6

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

引用次数: 0

摘要

合成了 2-oxomethylcytisine 和 N-取代马来酰亚胺的 Diels-Alder β-endo 加合物。对它们与 SARS-CoV-2 主要蛋白酶 Mpro 的 6LU7 活性位点相互作用的能力进行了硅学评估。测试的化合物包括潜在的抗冠状病毒剂 (3aR,4S,8S,12S,12aS,12bR)-2-(3-甲氧基苯基)-10-甲基-3a,7,8,9,10,12b-六氢-1H-4,12a-乙烯基-8,12-甲烷吡咯并[3′,4′：3,4]吡啶并[1,2-a][1,5]二佐辛-1,3,5,11(2H,4H,12H)-四酮，其计算特性超过了参考配体 tideglusib。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

2-Oxomethylcytisine Derivatives with Potential Anti-Coronavirus Activity

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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,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.

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来源期刊

Chemistry of Natural Compounds 化学-有机化学

CiteScore

1.40

自引率

25.00%

发文量

265

审稿时长

7.8 months

期刊介绍： Chemistry of Natural Compounds publishes reviews and general articles about the structure of different classes of natural compounds, the chemical characteristics of botanical families, genus, and species, to establish the comparative laws and connection between physiological activity and the structure of substances.