基于网络的方法用于药物目标识别
Thodoris Koutsandreas1,2, Kalliopi Tsafou3, Heiko Horn1,2
11European Bioinformatics Institute, European Molecular Biology Laboratory, Wellcome Genome Campus, Hinxton, United Kingdom;
Annual review of biomedical data science
|April 16, 2025
概括
确定有效的药物点对于药物开发至关重要. 集成多样化的数据的基于网络的方法有望改善目标识别和重新定位,但需要人工智能等先进的方法.
科学领域:
- 生物医学研究的研究.
- 药理学 药理学是指药理学的学科.
- 计算生物学是一种计算生物学.
背景情况:
- 药物标识是药物开发中的一个关键瓶,其成功率很低.
- 目前的方法往往缺乏对人类复杂疾病的全面了解.
研究的目的:
- 审查基于网络的药物目标识别和重定位方法的演变和潜力.
- 确定阻碍临床影响的局限性,并提出解决方案.
主要方法:
- 对药物发现中的基于网络的方法的审查.
- 分析用于目标识别的各种数据模式.
- 讨论新兴技术,如人工智能和知识图.
主要成果:
- 基于网络的方法为增强药物目标识别和重新定位提供了一个有希望的途径.
- 目前基于网络的方法的局限性阻碍了临床翻译.
结论:
- 将多样化的数据与基于网络的策略集成,可以改善药物发现.
- 建议利用人工智能和知识图来克服现有的局限性并推进临床应用.
相关概念视频
Protein Networks
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
Drug Discovery: Overview
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
Targets for Drug Action: Overview
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Structure-Activity Relationships and Drug Design
Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Pharmacogenomics: Identification of New Drug Targets
Advances in genomics have profoundly influenced drug discovery by increasing both the speed and accuracy of pharmaceutical development. Pharmacogenomics, which examines how genetic variation influences drug response, facilitates the identification of novel therapeutic targets and enables patient stratification for personalized treatment. These strategies contribute to improved drug efficacy, minimized adverse effects, and more efficient clinical trial design.Mapping genetic differences...
Modified-Release Drug Delivery Systems: Site-Targeted
Site-targeted drug delivery systems enhance therapeutic efficacy while minimizing systemic toxicity and treatment costs. Unlike conventional methods, these systems ensure precise drug delivery, improving bioavailability and reducing side effects. Targeted drug delivery is classified into three levels. First-order targeting directs drugs to the capillary beds of specific organs or tissues. Second-order targets specific cell types, such as tumor cells, using receptor-mediated interactions.


