基于人工智能的新型药物-基因-疾病相互作用的识别,使用蛋白质-蛋白质相互作用
1Department of Physics, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan. tag@granular.com.
BMC bioinformatics
|December 19, 2024
概括
本研究介绍了一种使用张量分解进行药物重新定位的AI方法,该方法仅基于蛋白质-蛋白质相互作用. 该方法有效地识别了潜在的癌症药物和其他疾病的药物,而没有事先的疾病或药物信息.
科学领域:
- 生物信息学是一种生物信息学.
- 人工智能在医学中的应用
- 计算生物学 计算生物学
背景情况:
- 鉴定疾病的有效药物是具有挑战性的,因为复杂的药物-基因-疾病相互作用.
- 目前以疾病或药物为中心的方法是复杂的,需要广泛的预先信息.
- 以基因为中心的方法更简单,但缺乏在没有预定义的疾病或药物的情况下识别相关基因的方法.
研究的目的:
- 开发和评估一种基于人工智能的新型药物重新定位方法.
- 用无监督的方法识别对疾病至关重要的基因和针对它们的有效药物.
- 仅使用蛋白质与蛋白质相互作用 (PPI) 数据进行药物重新定位.
主要方法:
- 应用基于张量分解 (TD) 的无监督特征提取 (FE) 到PPI网络.
- 使用无监督,基因为中心的方法,不指定目标疾病或药物.
- 评估了该方法识别已知的药物标关系和发现新的关系的能力.
主要成果:
- 基于TD的无监督FE仅使用PPI数据成功识别了与癌症相关的基因及其相应的药物.
- 该方法确定了枢纽蛋白,这也显示在药物重新定位中有用,特别是在癌症药物中.
- 基于TD的无监督FE证明了癌症以外的更广泛的适用性,识别了其他疾病的药物,并显示了体内应用的潜力.
结论:
- 基于TD的无监督FE是一种强大而通用的药物重新定位工具.
- 这种人工智能驱动的方法有效地利用PPI数据用于药物发现,而不需要额外的信息.
- 这种方法比传统方法有优势,包括识别各种疾病的药物和潜在的体内疗效.
更多相关视频
08:31Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
Published on: December 1, 2020
4.9K
08:07Probing High-density Functional Protein Microarrays to Detect Protein-protein Interactions
Published on: August 2, 2015
8.0K
相关概念视频
Protein-protein Interfaces
12.5K
Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
12.5K
Protein Networks
3.9K
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,...
3.9K
Protein-Drug Binding: Mechanism and Kinetics
282
Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
282
Factors Affecting Protein-Drug Binding: Drug Interactions
100
Drug interactions are a critical aspect of pharmacology and can occur when two or more drugs compete for the same binding site. This competition can result in one drug displacing another, altering the effect of the displaced drug. Drug interactions are complex processes that rely heavily on how much of the displacer drug is present and how strongly it can bind to the same sites as the displaced drug.
Displacement interactions can have varying outcomes, ranging from toxicity to virtually...
Displacement interactions can have varying outcomes, ranging from toxicity to virtually...
100
