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Cancer-Drug Interaction Network Construction and Drug Target Prediction Based on Multi-source Data

机译:基于多源数据的癌症-药物相互作用网络的构建和药物靶标预测

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With the finish of the human genome sequencing and the great progress in molecular biology like proteomics, many established authoritative international biomedical databases are completing continually in recent years. With these opening databases, all kinds of biological molecular networks can be constructed for potential disease gene detection and drug target prediction through network-based approaches. However, most methods do the drug target prediction along with data from only a single source, which have many limitations and tendencies. In this paper, we use multi-source data integrate with datasets from Uniprot, HGNC, COSMIC and DrugBank to do the anti-cancer drug target prediction more comprehensively. We construct Drug-Target network (DT network), Cancer-Gene network (CG network) and Cancer-Drug Interaction network (CDI network) based on the multi-source data we integrate, and do visualizations of the three networks in Cytoscape. In addition, we make an anti-cancer drug target prediction with the method of Random Walks on graphs, one of the most efficient method in biological molecular network analysis by now. Potential anti-cancer drug targets are predicted by calculating the correlation strengths between known cancer gene products and other proteins in CDI network with PersonalRank algorithm. Analysis of the prediction results shows that the potential anti-cancer drug targets we predicted are highly related with cancers both topologically and bio-functionally, which verifies the rationality and availability our method.
机译:随着人类基因组测序的完成以及蛋白质组学等分子生物学的巨大进步,近年来,许多成熟的权威国际生物医学数据库都在不断完善。通过这些开放的数据库,可以通过基于网络的方法构建各种生物分子网络,用于潜在疾病基因的检测和药物靶标的预测。但是,大多数方法仅结合单一来源的数据就可以进行药物目标预测,这有很多局限性和趋势。在本文中,我们将多源数据与Uniprot,HGNC,COSMIC和DrugBank的数据集集成在一起,以更全面地进行抗癌药物目标的预测。我们基于整合的多源数据构建了药物目标网络(DT网络),癌症基因网络(CG网络)和癌症药物相互作用网络(CDI网络),并在Cytoscape中对这三个网络进行了可视化处理。此外,我们还通过图上的随机游走法来进行抗癌药物目标预测,这是目前生物分子网络分析中最有效的方法之一。通过使用PersonalRank算法计算CDI网络中已知癌症基因产物与其他蛋白质之间的相关强度,可以预测潜在的抗癌药物靶标。对预测结果的分析表明,我们预测的潜在抗癌药物靶标在拓扑和生物功能上均与癌症高度相关,这证明了我们方法的合理性和实用性。

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