摘要
背景:通过利用测序,晶体学,光谱学和二杂交筛选领域的伴随进展而发现的大量蛋白质-蛋白质相互作用(PPI),提示了重塑药物发现的惊人前景。 PPI空间包括多达650 000个实体,是每种人类疾病潜在治疗目标的非凡储备。为了使现代药物发现计划能够利用这一点,我们应该能够辨别与特定疾病和相应的正常生理相关的完整PPI图。目标:在这里,我们将回顾社区可用的用于预测PPI的计算程序以及用于存储实验注释的交互的基于Web的资源。 方法:我们比较了预测工具:iLoops,Struck2Net,HOMCOS,COTH,PrePPI,InterPreTS和PRISM的能力,以预测最近发现的蛋白质相互作用。 结果:我们描述了基于序列和基于结构的PPI预测工具并解决了它们的特殊性。此外,由于预测算法的实用性在很大程度上取决于所建立实验数据的质量和数量;因此,我们广泛讨论了蛋白质相互作用的社区资源。我们关注的是活跃的和最近更新的主要和次要PPI数据库,专门针对主题或物种的存储库以及包括实验性PPI和预测性PPI的数据库。 结论:PPI复合物是重要生理过程的基础,因此是细胞穿透配体的可能靶标。可靠的计算PPI预测可以通过为实验研究确定治疗相关的蛋白质-蛋白质复合物的优先级来加快新的靶标发现。
关键词: 蛋白质-蛋白质相互作用,计算预测,预测性能,高通量实验技术,相互作用组数据集,数据库。
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