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全新结构药物的研发存在周期长、耗资大、风险高的问题.通过各种技术预测已有药物的新适应症,即药物重定位,可以缩短药物研发时间、降低研发成本和风险.由于疾病种类和已知药物的数量繁多,完全通过实验筛选已知药物的新用途仍然具有很高的成本.随着组学和药物信息学数据的积累,药物重定位进入到了理性设计和实验筛选相结合的阶段,药物重定位的计算预测已经成为计算生物学和系统生物学的重要研究方向.本文将目前药物重定位计算分析的策略归纳为药物-靶标关系分析、药物-药物关系分析和药物-疾病关系分析,对已报道的技术方法及其成功应用实例进行了综述.
The new structure of drug development there is a long cycle, costly, high risk issues.New indications of existing drugs through a variety of technologies predict that drug relocation, can shorten the drug development time and reduce research and development costs and risks.As a result of disease types And a large number of known drugs, there is still a high cost of completely screening out new uses of known drugs through experiments.With the accumulation of omics and informatics, drug relocations have been combined with rational design and experimental screening Stage and drug relocation has become an important research direction in computational biology and system biology.In this paper, the current strategies of drug relocation calculation and analysis are summarized as drug-target relationship analysis, drug-drug relationship analysis and drug-disease relationship Analyzed and reviewed the reported technical methods and their successful application examples.