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生物信息学技术和工具在药物发现中的作用与应用。

The role and application of bioinformatics techniques and tools in drug discovery.

作者信息

Zhang Shujun, Liu Kaijie, Liu Yafeng, Hu Xinjun, Gu Xinyu

机构信息

Department of Infectious Diseases, The First Affiliated Hospital, College of Clinical Medicine, Henan University of Science and Technology, Luoyang, Henan, China.

Henan Medical Key Laboratory of Gastrointestinal Microecology and Hepatology, Luoyang, China.

出版信息

Front Pharmacol. 2025 Feb 13;16:1547131. doi: 10.3389/fphar.2025.1547131. eCollection 2025.

Abstract

The process of drug discovery and development is both lengthy and intricate, demanding a substantial investment of time and financial resources. Bioinformatics techniques and tools can not only accelerate the identification of drug targets and the screening and refinement of drug candidates, but also facilitate the characterization of side effects and the prediction of drug resistance. High-throughput data from genomics, transcriptomics, proteomics, and metabolomics make significant contributions to mechanics-based drug discovery and drug reuse. This paper summarizes bioinformatics technologies and tools in drug research and development and their roles and applications in drug research and development, aiming to provide references for the development of new drugs and the realization of precision medicine.

摘要

药物发现与开发过程既漫长又复杂,需要投入大量的时间和资金。生物信息学技术和工具不仅可以加速药物靶点的识别以及候选药物的筛选和优化,还能促进副作用的表征和耐药性预测。来自基因组学、转录组学、蛋白质组学和代谢组学的高通量数据对基于机制的药物发现和药物再利用做出了重大贡献。本文总结了药物研发中的生物信息学技术和工具及其在药物研发中的作用和应用,旨在为新药开发和精准医学的实现提供参考。

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