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协调多种基于连通性的系统生物学方法用于药物再利用。

Reconciling multiple connectivity-based systems biology methods for drug repurposing.

作者信息

Gonzalez Gomez Catalina, Rosa-Calatrava Manuel, Fouret Julien

机构信息

CIRI, Centre International de Recherche en Infectiologie, Team VirPath, Inserm U1111, Université Claude Bernard Lyon 1, CNRS UMR5308, ENS de Lyon, 8 rue Guillaume Paradin Faculté de Médecine RTH Laennec, Lyon 69008, France.

International Associated Laboratory RespiVir France - Canada, Centre de Recherche en Infectiologie, Faculté de Médecine RTH Laennec, Université Claude Bernard Lyon 1, Université de Lyon, INSERM, CNRS, ENS de Lyon, Lyon 69008 France, Centre Hospitalier Universitaire de Québec - Université Laval, Québec, QC G1V 4G2, Canada.

出版信息

Brief Bioinform. 2025 Jul 2;26(4). doi: 10.1093/bib/bbaf387.


DOI:10.1093/bib/bbaf387
PMID:40736744
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12309248/
Abstract

In the last two decades, numerous in silico methods have been developed for drug repurposing, to accelerate and reduce the risks about early drug development. Particularly, following Connectivity Map, dozens of distinct data-driven methods have been implemented to find candidates from the comparison of differential transcriptomic signatures. Interestingly, there have been multiple proposals to integrate available knowledge using systems biology databases and adapted algorithms from the network biology research field. Despite their similarities, these methods have been formulated inconsistently over the years, even if some of them are fundamentally similar. The aim of this review is to reconcile these integrative methods, focusing on elucidating their common structures while underlining the specificities of their strategies. To achieve this, we classified those methods into two main categories, provided schematic workflow representations, and presented a homogenized formulation for each.

摘要

在过去二十年中,已经开发了许多用于药物再利用的计算机模拟方法,以加速并降低早期药物开发的风险。特别是,继连通性图谱之后,已经实施了数十种不同的数据驱动方法,以便从差异转录组特征的比较中寻找候选药物。有趣的是,已经有多项提议,要利用系统生物学数据库和网络生物学研究领域的适配算法来整合现有知识。尽管这些方法有相似之处,但多年来它们的表述并不一致,即使其中一些方法在根本上是相似的。本综述的目的是协调这些整合方法,重点是阐明它们的共同结构,同时强调其策略的特殊性。为实现这一目标,我们将这些方法分为两大类,提供了示意性的工作流程表示,并为每一类给出了统一的表述。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/46400952810e/bbaf387f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/b75bfb2c73f7/bbaf387f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/9d38c5b684c8/bbaf387f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/46400952810e/bbaf387f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/b75bfb2c73f7/bbaf387f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/9d38c5b684c8/bbaf387f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72ac/12309248/46400952810e/bbaf387f3.jpg

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本文引用的文献

[1]
BiomedRAG: A retrieval augmented large language model for biomedicine.

J Biomed Inform. 2025-2

[2]
Costs of Drug Development and Research and Development Intensity in the US, 2000-2018.

JAMA Netw Open. 2024-6-3

[3]
Optimizing in silico drug discovery: simulation of connected differential expression signatures and applications to benchmarking.

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[4]
Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery.

Nat Commun. 2024-6-25

[5]
A comparative benchmarking and evaluation framework for heterogeneous network-based drug repositioning methods.

Brief Bioinform. 2024-3-27

[6]
Drug Repurposing: A Leading Strategy for New Threats and Targets.

ACS Pharmacol Transl Sci. 2024-4-1

[7]
Drug target prediction through deep learning functional representation of gene signatures.

Nat Commun. 2024-2-29

[8]
A drug repurposing method based on inhibition effect on gene regulatory network.

Comput Struct Biotechnol J. 2023-9-9

[9]
Drug mechanism enrichment analysis improves prioritization of therapeutics for repurposing.

BMC Bioinformatics. 2023-5-24

[10]
KNeMAP: a network mapping approach for knowledge-driven comparison of transcriptomic profiles.

Bioinformatics. 2023-6-1

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