Suppr超能文献

药物特征作为相似性度量的作用:在药物重新利用、不良反应检测及药物相互作用中的应用

The role of drug profiles as similarity metrics: applications to repurposing, adverse effects detection and drug-drug interactions.

作者信息

Vilar Santiago, Hripcsak George

出版信息

Brief Bioinform. 2017 Jul 1;18(4):670-681. doi: 10.1093/bib/bbw048.

Abstract

Explosion of the availability of big data sources along with the development in computational methods provides a useful framework to study drugs' actions, such as interactions with pharmacological targets and off-targets. Databases related to protein interactions, adverse effects and genomic profiles are available to be used for the construction of computational models. In this article, we focus on the description of biological profiles for drugs that can be used as a system to compare similarity and create methods to predict and analyze drugs' actions. We highlight profiles constructed with different biological data, such as target-protein interactions, gene expression measurements, adverse effects and disease profiles. We focus on the discovery of new targets or pathways for drugs already in the pharmaceutical market, also called drug repurposing, in the interaction with off-targets responsible for adverse reactions and in drug-drug interaction analysis. The current and future applications, strengths and challenges facing all these methods are also discussed. Biological profiles or signatures are an important source of data generation to deeply analyze biological actions with important implications in drug-related studies.

摘要

随着大数据源可用性的激增以及计算方法的发展,为研究药物作用提供了一个有用的框架,例如药物与药理学靶点及脱靶的相互作用。与蛋白质相互作用、不良反应和基因组图谱相关的数据库可用于构建计算模型。在本文中,我们重点描述可作为一种系统用于比较相似性以及创建预测和分析药物作用方法的药物生物学图谱。我们着重介绍利用不同生物学数据构建的图谱,如靶点 - 蛋白质相互作用、基因表达测量、不良反应和疾病图谱。我们聚焦于在制药市场中已有的药物发现新靶点或新途径,即药物再利用,研究其与导致不良反应的脱靶的相互作用以及药物 - 药物相互作用分析。还讨论了所有这些方法当前和未来的应用、优势及面临的挑战。生物学图谱或特征是数据生成的重要来源,可用于深入分析生物学作用,这在药物相关研究中具有重要意义。

相似文献

2
Survey of Similarity-Based Prediction of Drug-Protein Interactions.
Curr Med Chem. 2020;27(35):5856-5886. doi: 10.2174/0929867326666190808154841.
3
Large-scale detection of drug off-targets: hypotheses for drug repurposing and understanding side-effects.
BMC Pharmacol Toxicol. 2017 Apr 28;18(1):18. doi: 10.1186/s40360-017-0128-7.
4
An Analytical Review of Computational Drug Repurposing.
IEEE/ACM Trans Comput Biol Bioinform. 2021 Mar-Apr;18(2):472-488. doi: 10.1109/TCBB.2019.2933825. Epub 2021 Apr 6.
5
Drug Repurposing Using FDA Adverse Event Reporting System (FAERS) Database.
Curr Drug Targets. 2024;25(7):454-464. doi: 10.2174/0113894501290296240327081624.
6
In silico methods for drug repurposing and pharmacology.
Wiley Interdiscip Rev Syst Biol Med. 2016 May;8(3):186-210. doi: 10.1002/wsbm.1337. Epub 2016 Apr 15.
7
Prediction of drug adverse events using deep learning in pharmaceutical discovery.
Brief Bioinform. 2021 Mar 22;22(2):1884-1901. doi: 10.1093/bib/bbaa040.
8
Data-driven prediction of adverse drug reactions induced by drug-drug interactions.
BMC Pharmacol Toxicol. 2017 Jun 8;18(1):44. doi: 10.1186/s40360-017-0153-6.
9
Drug repurposing based on drug-drug interaction.
Chem Biol Drug Des. 2015 Feb;85(2):137-44. doi: 10.1111/cbdd.12378. Epub 2014 Jul 2.
10
A tool to utilize adverse effect profiles to identify brain-active medications for repurposing.
Int J Neuropsychopharmacol. 2015 Feb 11;18(3). doi: 10.1093/ijnp/pyu078. Print 2015 Feb.

引用本文的文献

1
The future of metronomic chemotherapy: experimental and computational approaches of drug repurposing.
Pharmacol Rep. 2025 Feb;77(1):1-20. doi: 10.1007/s43440-024-00662-w. Epub 2024 Oct 21.
2
Signature reversion of three disease-associated gene signatures prioritizes cancer drug repurposing candidates.
FEBS Open Bio. 2024 May;14(5):803-830. doi: 10.1002/2211-5463.13796. Epub 2024 Mar 26.
3
PRID: Prediction Model Using RWR for Interactions between Drugs.
Pharmaceutics. 2023 Oct 15;15(10):2469. doi: 10.3390/pharmaceutics15102469.
4
A comprehensive tool for tumor precision medicine with pharmaco-omics data analysis.
Front Pharmacol. 2023 Jan 12;14:1085765. doi: 10.3389/fphar.2023.1085765. eCollection 2023.
5
Considerations and challenges for sex-aware drug repurposing.
Biol Sex Differ. 2022 Mar 25;13(1):13. doi: 10.1186/s13293-022-00420-8.
6
A machine learning framework for predicting drug-drug interactions.
Sci Rep. 2021 Sep 2;11(1):17619. doi: 10.1038/s41598-021-97193-8.
7
Predicting Drug-Disease Association Based on Ensemble Strategy.
Front Genet. 2021 May 3;12:666575. doi: 10.3389/fgene.2021.666575. eCollection 2021.
8
Alternative strategies in cardiac preclinical research and new clinical trial formats.
Cardiovasc Res. 2022 Feb 21;118(3):746-762. doi: 10.1093/cvr/cvab075.
9
Drug Research Meets Network Science: Where Are We?
J Med Chem. 2020 Aug 27;63(16):8653-8666. doi: 10.1021/acs.jmedchem.9b01989. Epub 2020 May 8.
10
A Novel Approach for Drug-Target Interactions Prediction Based on Multimodal Deep Autoencoder.
Front Pharmacol. 2020 Jan 28;10:1592. doi: 10.3389/fphar.2019.01592. eCollection 2019.

本文引用的文献

1
Inferring new drug indications using the complementarity between clinical disease signatures and drug effects.
J Biomed Inform. 2016 Feb;59:248-57. doi: 10.1016/j.jbi.2015.12.003. Epub 2015 Dec 17.
2
An overview of molecular fingerprint similarity search in virtual screening.
Expert Opin Drug Discov. 2016;11(2):137-48. doi: 10.1517/17460441.2016.1117070. Epub 2015 Dec 4.
3
The SIDER database of drugs and side effects.
Nucleic Acids Res. 2016 Jan 4;44(D1):D1075-9. doi: 10.1093/nar/gkv1075. Epub 2015 Oct 19.
6
Similarity-based search of model organism, disease and drug effect phenotypes.
J Biomed Semantics. 2015 Feb 19;6:6. doi: 10.1186/s13326-015-0001-9. eCollection 2015.
8
Systematic evaluation of connectivity map for disease indications.
Genome Med. 2014 Dec 2;6(12):540. doi: 10.1186/s13073-014-0095-1. eCollection 2014.
9
Similarity-based modeling applied to signal detection in pharmacovigilance.
CPT Pharmacometrics Syst Pharmacol. 2014 Sep 24;3(9):e137. doi: 10.1038/psp.2014.35.
10
Molecular fingerprint similarity search in virtual screening.
Methods. 2015 Jan;71:58-63. doi: 10.1016/j.ymeth.2014.08.005. Epub 2014 Aug 15.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验