MPMB-DR:用于药物重新定位的多源生物信息元路径集成。

IF 3.9 2区 生物学 Q1 MATHEMATICAL & COMPUTATIONAL BIOLOGY
Xiaoyan Sun, Zhenjie Hou, Wenguang Zhang, Yan Chen, Haibin Yao
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引用次数: 0

摘要

传统的药物发现方法往往需要大量的时间和精力。有希望的解决方案是通过确定新的治疗作用来重新利用现有药物,从而提高开发效率。基于计算方法的药物重新定位正受到广泛关注。然而,大多数计算方法主要依靠基于相似度的数据来提取关联特征,缺乏对关联网络拓扑结构特征的挖掘,忽略了有价值的原始生物和化学信息。因此,本文开发了一种基于多源生物信息元路径集成(MPMB-DR)的药物重新定位方法。该方法结合元路径和生物分子相似性信息,在异构网络中构建高质量的负链接。它既考虑了缔合网络的拓扑结构,又考虑了生物分子之间的关系。基于负样本策略,通过利用元路径和多源生物学数据之间的协同作用来预测潜在的药物-疾病关联。实验结果和案例研究表明,MPMB-DR方法在识别潜在药物与疾病之间的关联方面具有显著优势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
MPMB-DR: Meta-path Integration of Multi-source Biological Information for Drug Repositioning.

Conventional approaches to drug discovery often require considerable time and effort. The promising solution is to repurpose existing drugs by identifying new therapeutic roles, thereby enhancing development efficiency. Drug repositioning based on computational methods is gaining widespread attention. However, most computational methods primarily rely on similarity-based data to extract features of associations, but lack the mining of topological structural features in the association network, while ignoring valuable original biological and chemical information. Therefore, this article develops a drug repositioning approach via meta-path integration of multi-source biological information (MPMB-DR). This approach combines meta-path and biomolecular similarity information to construct high-quality negative links within heterogeneous networks. It considers both the topological structure of the association network and the relationships among biomolecules. Based on the negative sample strategy, potential drug-disease associations are predicted by leveraging the synergy between meta-paths and multi-source biological data. Experimental results and case studies demonstrate that the MPMB-DR method has significant advantages in identifying associations between potential drugs and diseases.

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来源期刊
Interdisciplinary Sciences: Computational Life Sciences
Interdisciplinary Sciences: Computational Life Sciences MATHEMATICAL & COMPUTATIONAL BIOLOGY-
CiteScore
8.60
自引率
4.20%
发文量
55
期刊介绍: Interdisciplinary Sciences--Computational Life Sciences aims to cover the most recent and outstanding developments in interdisciplinary areas of sciences, especially focusing on computational life sciences, an area that is enjoying rapid development at the forefront of scientific research and technology. The journal publishes original papers of significant general interest covering recent research and developments. Articles will be published rapidly by taking full advantage of internet technology for online submission and peer-reviewing of manuscripts, and then by publishing OnlineFirstTM through SpringerLink even before the issue is built or sent to the printer. The editorial board consists of many leading scientists with international reputation, among others, Luc Montagnier (UNESCO, France), Dennis Salahub (University of Calgary, Canada), Weitao Yang (Duke University, USA). Prof. Dongqing Wei at the Shanghai Jiatong University is appointed as the editor-in-chief; he made important contributions in bioinformatics and computational physics and is best known for his ground-breaking works on the theory of ferroelectric liquids. With the help from a team of associate editors and the editorial board, an international journal with sound reputation shall be created.
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