以疟疾蛋白酶及其抑制剂为重点的药物靶点的计算机辅助搜索。

Yufeng Wang, Yimin Wu
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引用次数: 12

摘要

数据库的创建使大量不同数量的信息可用,算法的编码允许收集和调查这些数据,以及能够处理数据和运行算法的台式计算机的广泛可用性,为药物目标识别的创新方法奠定了基础。在这里,我们回顾了这一新领域的主要趋势,提供了一些数据库和软件的概述,这些数据库和软件用于使用计算机方法生成和缩短潜在药物靶点列表。作为一个案例研究,我们着眼于鉴定和研究疟疾蛋白酶作为治疗靶点的疟原虫。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Computer assisted searches for drug targets with emphasis on malarial proteases and their inhibitors.

The creation of databases that make enormous and diverse amounts of information available, the coding of algorithms that allow the collection and investigation of these data and the wide availability of desktop computers capable of handling the data and running the algorithms have set the stage for innovative approaches to drug target identification. Here we review the main currents in this new field, providing an overview of some of the databases and software used to generate and shorten the lists of potential drug targets using in silico methods. As a case study, we look at the identification and investigation of malarial proteases as therapeutic targets in the Plasmodium spp. parasites.

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