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Review Article

使用计算机方法揭示涉及反人类线索的目标

卷 21, 期 7, 2020

页: [681 - 712] 页: 32

弟呕挨: 10.2174/1389450121666200128112948

价格: $65

摘要

背景：利什曼病是一种被忽视的热带病，与多种临床表现有关，包括皮肤，粘膜皮肤和内脏形式。由于当前可用的药物具有某些局限性（毒性，耐药性等），因此基于靶点的鉴定已成为开发抗利什曼病新线索的重要方法。本研究旨在确定与强效抗疟药化合物的药理作用有关的靶标。 方法：讨论了过去近十年来研究的抗菊苣化合物分子相互作用的文献资料。该信息是从诸如Wiley，SciFinder，Science Direct，国家医学图书馆，美国化学学会，在线科学电子图书馆，Scopus，Springer，Google Scholar，Web of Science等数据库中获得的。 结果：许多体外抗菌动物化合物与精氨酸酶，蝶啶还原酶1，锥虫硫醚还原酶，丙酮酸激酶等酶表现出亲和力和选择性相互作用，这对于利什曼原虫的存活和致病性至关重要。 结论：小分子（酶，蛋白质等）的计算机模拟活性可以用作开发治疗利什曼病的候选化合物的药理学工具。由于某些药理活性化合物可能作用于一个以上的靶标，因此对强效抗菌药物作用机理的进一步研究可能有助于更好地理解其药理作用。同样，最有前途的抗疟疾化合物的优化可能会改善其生物学活性。

关键词: 利什曼病，生物信息学，计算机软件，药理学，药物靶标，分子建模。

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