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Review Article

计算药物再利用：当前趋势

卷 26, 期 28, 2019

页: [5389 - 5409] 页: 21

弟呕挨: 10.2174/0929867325666180530100332

价格: $65

摘要

生物医学发现已经随着数据的爆炸式数字化而重塑，这些数据可以从许多渠道检索到，从临床药理学到化学信息学驱动的数据库。现在，超级计算平台和诸如生物学，物理化学和临床数据之类的公共可用资源都可以整合在一起，以构建有关候选药物的信号传导途径和药物作用机制的详细图谱。计算机辅助数据挖掘的最新进展促进了对“大数据”方法的分析，并且加快了对已有药物新适应症的发现。将基因表型联系起来以预测新的药物疾病特征或将药物和蛋白质靶标的分子结构信息与其他来自系统生物学的数据结合起来，具有极大的潜力来加速药物发现和提高药物利用目的的成功率。在这篇综述中，我们重点介绍了常用的计算药物再利用策略，包括生物信息学和化学信息学工具，以整合来自系统生物学的大规模数据，并考虑使用这种方法的挑战和机遇。此外，我们提供了成功的示例和案例研究，这些案例和案例研究结合了多种计算机药物重新利用策略，以预测已知疗法的潜在新用途。

关键词: 药物再用途，生物信息学，化学信息学，筛选，网络药理学，系统生物学。

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