Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev Ave. 9, 630090 Novosibirsk, Russia.
Laboratory of Chemical Physics, Laboratory of Physical and Chemical Methods of Analysis, Ufa Institute of Chemistry Ufa Federal Research Center, 71 Pr. Oktyabrya, 450078 Ufa, Russia.
Viruses. 2022 Dec 21;15(1):29. doi: 10.3390/v15010029.
Despite the fact that the variola virus is considered eradicated, the search for new small molecules with activity against orthopoxviruses remains an important task, especially in the context of recent outbreaks of monkeypox. As a result of this work, a number of amides of benzoic acids containing an adamantane fragment were obtained. Most of the compounds demonstrated activity against vaccinia virus, with a selectivity index SI = 18,214 for the leader compound . The obtained derivatives also demonstrated activity against murine pox (250 ≤ SI ≤ 6071) and cowpox (125 ≤ SI ≤ 3036). A correlation was obtained between the IC meanings and the binding energy to the assumed biological target, the p37 viral protein with R = 0.60.
尽管天花病毒已被认为被根除，但寻找具有抗正痘病毒活性的新型小分子仍然是一项重要任务，尤其是在最近猴痘爆发的背景下。这项工作的结果是得到了一系列含有金刚烷片段的苯甲酸酰胺。大多数化合物对牛痘病毒表现出活性，先导化合物的选择性指数 SI = 18,214。所得到的衍生物还对鼠痘（250 ≤ SI ≤ 6071）和牛痘（125 ≤ SI ≤ 3036）表现出活性。在 IC 含义和与假定生物靶标（p37 病毒蛋白）的结合能之间获得了相关性，R = 0.60。
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