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Review Article

开发抗利什曼病和抗锥虫病药物的先进计算机方法

卷 27, 期 5, 2020

页: [697 - 718] 页: 22

弟呕挨: 10.2174/0929867325666181031093702

价格: $65

摘要

利什曼病和锥虫病主要发生在不发达国家，造成了数百万例死亡和残疾调整生命年。有限的治疗选择，化学治疗药物的高毒性以及与这些疾病相关的耐药性的出现要求紧急开发用于治疗这些可怕疾病的新型治疗剂。在过去的几十年中，已经成功地实施了各种计算机方法，以支持漫长而昂贵的药物发现过程。在当前的审查中，我们讨论了有关计算机分析的最新进展，这些分析涉及抗疟疾和抗锥虫病的铅识别，铅修饰和目标识别。我们描述了一些重要的计算机方法的最新应用，例如2D-QSAR，3D-QSAR，药效团作图，分子对接等，目的是了解这些技术在设计新型治疗性抗寄生虫药中的用途。代理商。这篇综述着重于：（a）先进的计算药物设计方案； （b）多种方法-例如：使用机器学习工具，软件解决方案和网络平台； （c）最近五年的最新申请和进展； （d）计算机模拟预测的实验验证； （e）虚拟筛选工具； （f）选择这些计算机方法的理由或理由。

关键词: 利什曼病，锥虫病，药物设计，2D // 3D定量构效关系QSAR，机器学习工具，Web平台，虚拟筛选。

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