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人工智能在加速药物发现和开发中的应用。

Artificial Intelligence in Accelerating Drug Discovery and Development.

机构信息

Department of Computer Science and Engineering, National Institute of Technology Patna (NITP), Patna-800005, India.

Department of Applied Science, Indian Institute of Information Technology Allahabad (IIITA), Prayagraj- 211015, India.

出版信息

Recent Pat Biotechnol. 2023;17(1):9-23. doi: 10.2174/1872208316666220802151129.

DOI:10.2174/1872208316666220802151129
PMID:35927896
Abstract

Drug discovery and development are critical processes that enable the treatment of wide variety of health-related problems. These are time-consuming, tedious, complicated, and costly processes. Numerous difficulties arise throughout the entire process of drug discovery, from design to testing. Corona Virus Disease 2019 (COVID-19) has recently posed a significant threat to global public health. SARS-Cov-2 and its variants are rapidly spreading in humans due to their high transmission rate. To effectively treat COVID-19, potential drugs and vaccines must be developed quickly. The advancement of artificial intelligence has shifted the focus of drug development away from traditional methods and toward bioinformatics tools. Computer-aided drug design techniques have demonstrated tremendous utility in dealing with massive amounts of biological data and developing efficient algorithms. Artificial intelligence enables more effective approaches to complex problems associated with drug discovery and development through the use of machine learning. Artificial intelligence-based technologies improve the pharmaceutical industry's ability to discover effective drugs. This review summarizes significant challenges encountered during the drug discovery and development processes, as well as the applications of artificial intelligence-based methods to overcome those obstacles in order to provide effective solutions to health problems. This may provide additional insight into the mechanism of action, resulting in the development of vaccines and potent substitutes for repurposed drugs that can be used to treat not only COVID-19 but also other ailments.

摘要

药物发现和开发是治疗各种健康相关问题的关键过程。这些过程既耗时又乏味,复杂且昂贵。在药物发现的整个过程中,从设计到测试,都会出现无数的困难。2019 年冠状病毒病(COVID-19)最近对全球公共卫生构成了重大威胁。由于 SARS-CoV-2 及其变体具有很高的传播率,因此在人类中迅速传播。为了有效治疗 COVID-19,必须迅速开发潜在的药物和疫苗。人工智能的进步使得药物开发的重点从传统方法转移到了生物信息学工具上。计算机辅助药物设计技术在处理大量生物数据和开发高效算法方面显示出了巨大的效用。人工智能通过使用机器学习为药物发现和开发中的复杂问题提供了更有效的解决方法。人工智能技术提高了制药行业发现有效药物的能力。本文总结了药物发现和开发过程中遇到的重大挑战,以及人工智能方法的应用,以克服这些障碍,从而为健康问题提供有效的解决方案。这可能为作用机制提供更多的见解,从而开发出疫苗和有效的替代品,不仅可以用于治疗 COVID-19,还可以用于治疗其他疾病。

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引用本文的文献

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Recent Development, Applications, and Patents of Artificial Intelligence in Drug Design and Development.人工智能在药物设计与开发中的最新进展、应用及专利
Curr Drug Discov Technol. 2025 Feb 10. doi: 10.2174/0115701638364199250123062248.
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Evolution of artificial intelligence in healthcare: a 30-year bibliometric study.医疗保健领域人工智能的发展:一项为期30年的文献计量研究。
Front Med (Lausanne). 2025 Jan 15;11:1505692. doi: 10.3389/fmed.2024.1505692. eCollection 2024.
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Application of Virtual Drug Study to New Drug Research and Development: Challenges and Opportunity.
虚拟药物研究在新药研发中的应用:挑战与机遇。
Clin Pharmacokinet. 2024 Sep;63(9):1239-1249. doi: 10.1007/s40262-024-01416-w. Epub 2024 Sep 3.
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The real-world impact of National Institute for Health and Care Excellence's real-world evidence framework.英国国家卫生与临床优化研究所真实世界证据框架的现实世界影响。
J Comp Eff Res. 2023 Nov;12(11):e230135. doi: 10.57264/cer-2023-0135. Epub 2023 Oct 19.
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Organ-on-a-chip meets artificial intelligence in drug evaluation.器官芯片与药物评价中的人工智能相遇。
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Front Public Health. 2023 Jan 10;10:1087174. doi: 10.3389/fpubh.2022.1087174. eCollection 2022.