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Pathway analysis software as a tool for drug target selection, prioritization and validation of drug mechanism.

机译:路径分析软件可作为药物靶点选择,药物机制优先级和验证的工具。

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摘要

One of the major challenges of drug discovery today is the poor understanding of the detailed molecular mechanisms underlying both disease progression and drug action. Insufficient drug specificity and side effects are often discovered during the late stages of drug development, sometimes after the drug is released on the market. These discoveries result in a high target attrition rate, a slow drug design pipeline and high development costs. Recent advances in systems biology and pathway analysis can help make true rational design a reality through the integration of experimental observations with underlying cellular regulation and metabolic networks. It should enable the formulation of better and more informed testable hypotheses with regard to the most efficient target candidates. In this article, the authors overview the broad and heterogeneous field of molecular interaction databases and pathway analysis tools, and the challenges existing in the field. The authors describe and classify different approaches for data acquisition, storage and navigation, give a detailed description of the integrative technology behind the Pathway Studio software solution, and present a comparison with other integrative pathway analysis platforms suitable for drug discovery tasks.
机译:当今药物发现的主要挑战之一是对疾病进展和药物作用的详细分子机制了解不足。在药物开发的后期阶段,有时是在药物投放市场后,常常会发现药物特异性和副作用不足。这些发现导致靶标损耗率高,药物设计流程缓慢和开发成本高。系统生物学和途径分析的最新进展可通过将实验观察结果与潜在的细胞调节和代谢网络相结合,帮助实现真正合理的设计。它应该能够针对最有效的目标候选人提出更好,更明智的可检验假设。在本文中,作者概述了分子相互作用数据库和途径分析工具的广泛且异构的领域,以及该领域中存在的挑战。作者描述并分类了用于数据采集,存储和导航的不同方法,对Pathway Studio软件解决方案背后的集成技术进行了详细描述,并与适用于药物发现任务的其他集成途径分析平台进行了比较。

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