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基于机器学习的药物重定位的最新进展。

Recent advances in drug repurposing using machine learning.

机构信息

Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA.

Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA.

出版信息

Curr Opin Chem Biol. 2021 Dec;65:74-84. doi: 10.1016/j.cbpa.2021.06.001. Epub 2021 Jul 16.

DOI:10.1016/j.cbpa.2021.06.001
PMID:34274565
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8671152/
Abstract

Drug repurposing aims to find new uses for already existing and approved drugs. We now provide a brief overview of recent developments in drug repurposing using machine learning alongside other computational approaches for comparison. We also highlight several applications for cancer using kinase inhibitors, Alzheimer's disease as well as COVID-19.

摘要

药物重定位旨在为已经存在和批准的药物寻找新用途。现在,我们将简要概述药物重定位方面的最新进展,包括机器学习和其他计算方法的比较。我们还强调了使用激酶抑制剂治疗癌症、阿尔茨海默病和 COVID-19 的几种应用。

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Recent advances in drug repurposing using machine learning.基于机器学习的药物重定位的最新进展。
Curr Opin Chem Biol. 2021 Dec;65:74-84. doi: 10.1016/j.cbpa.2021.06.001. Epub 2021 Jul 16.
2
Machine and deep learning approaches for cancer drug repurposing.机器和深度学习方法在癌症药物再利用中的应用。
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Advances in the computational landscape for repurposed drugs against COVID-19.针对 COVID-19 的再利用药物的计算领域进展。
Drug Discov Today. 2021 Dec;26(12):2800-2815. doi: 10.1016/j.drudis.2021.07.026. Epub 2021 Jul 30.
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Application of artificial intelligence and machine learning in drug repurposing.人工智能和机器学习在药物重定位中的应用。
Prog Mol Biol Transl Sci. 2024;205:171-211. doi: 10.1016/bs.pmbts.2024.03.030. Epub 2024 Mar 31.
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Artificial intelligence, machine learning, and drug repurposing in cancer.人工智能、机器学习和癌症药物再利用。
Expert Opin Drug Discov. 2021 Sep;16(9):977-989. doi: 10.1080/17460441.2021.1883585. Epub 2021 Feb 12.
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Protective role of anticancer drugs in neurodegenerative disorders: A drug repurposing approach.抗癌药物在神经退行性疾病中的保护作用:药物再利用方法。
Neurochem Int. 2020 Nov;140:104841. doi: 10.1016/j.neuint.2020.104841. Epub 2020 Aug 24.
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Repurposed Drugs as Potential Therapeutic Candidates for the Management of Alzheimer's Disease.重新利用的药物作为治疗阿尔茨海默病的潜在候选疗法
Curr Drug Metab. 2017;18(9):842-852. doi: 10.2174/1389200218666170607101622.
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Machine Learning Applications in Drug Repurposing.机器学习在药物再利用中的应用。
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Chem Biol Drug Des. 2021 Apr;97(4):836-853. doi: 10.1111/cbdd.13812. Epub 2020 Dec 22.

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本文引用的文献

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Drug repurposing screens reveal cell-type-specific entry pathways and FDA-approved drugs active against SARS-Cov-2.药物重定位筛选揭示了针对 SARS-CoV-2 的细胞类型特异性进入途径和已获 FDA 批准的药物。
Cell Rep. 2021 Apr 6;35(1):108959. doi: 10.1016/j.celrep.2021.108959. Epub 2021 Mar 23.
2
Repurposing the Ebola and Marburg Virus Inhibitors Tilorone, Quinacrine, and Pyronaridine: Activity against SARS-CoV-2 and Potential Mechanisms.重新利用埃博拉病毒和马尔堡病毒抑制剂替洛隆、奎纳克林和咯萘啶:对严重急性呼吸综合征冠状病毒2(SARS-CoV-2)的活性及潜在机制
ACS Omega. 2021 Mar 10;6(11):7454-7468. doi: 10.1021/acsomega.0c05996. eCollection 2021 Mar 23.
3
Drug Repurposing Screen for Compounds Inhibiting the Cytopathic Effect of SARS-CoV-2.用于筛选抑制新型冠状病毒细胞病变效应化合物的药物再利用筛选
Front Pharmacol. 2021 Jan 25;11:592737. doi: 10.3389/fphar.2020.592737. eCollection 2020.
4
Machine learning identifies candidates for drug repurposing in Alzheimer's disease.机器学习确定阿尔茨海默病药物再利用的候选者。
Nat Commun. 2021 Feb 15;12(1):1033. doi: 10.1038/s41467-021-21330-0.
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Cell-Based High-Throughput Screening Protocol for Discovering Antiviral Inhibitors Against SARS-COV-2 Main Protease (3CLpro).基于细胞的高通量筛选技术用于发现针对 SARS-CoV-2 主蛋白酶(3CLpro)的抗病毒抑制剂
Mol Biotechnol. 2021 Mar;63(3):240-248. doi: 10.1007/s12033-021-00299-7. Epub 2021 Jan 19.
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Parkinson's Disease Drug Development Since 1999: A Story of Repurposing and Relative Success.1999 年以来的帕金森病药物研发:再利用与相对成功的故事。
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