一个多源分子网络代表模型用于蛋白质-蛋白质相互作用的预测.
Hai-Tao Zou1, Bo-Ya Ji2, Xiao-Lan Xie3
1College of Information Science and Engineering, Guilin University of Technology, Guilin, 541000, China.
Scientific reports
|March 15, 2024
概括
预测蛋白质与蛋白质相互作用 (PPI) 对于了解疾病至关重要. 一个新的计算模型,MultiPPIs,集成了序列和多源网络数据,用于准确的PPI预测,达到86.03%的准确性.
科学领域:
- 计算生物学是一种计算生物学.
- 生物信息学是一种生物信息学.
- 系统生物学 系统生物学
背景情况:
- 蛋白与蛋白相互作用 (PPI) 是细胞功能和疾病机制的基础.
- 对PPI的实验识别是广泛但不完整的,需要高效的计算方法.
- 准确的PPI预测有助于疾病理解和药物发现.
研究的目的:
- 开发一种高性能计算模型,用于预测潜在的蛋白质与蛋白质相互作用 (PPI).
- 整合多样化的分子数据,以提高PPI预测准确性和效率.
主要方法:
- 从蛋白质序列中提取特征,使用物理化学性质和自动共变性.
- 构建一个多源协会网络,整合miRNA,蛋白质,lncRNA,药物和疾病.
- 应用DeepWalk用于图表表示学习,以捕获多源关联信息.
- 使用随机森林分类器用于培训和预测PPI.
主要成果:
- 多PPI模型实现了平均86.03%的预测准确度.
- 报告的灵敏度为82.69%,曲线下的面积 (AUC) 为93.03%,使用五倍交叉验证.
- 该模型表现出强大的预测性能,优于现有方法.
结论:
- 通过整合序列和基于网络的功能,MultiPPI有效地预测蛋白质与蛋白质的相互作用.
- 该模型为生物研究和潜在治疗标识提供了有价值的见解.
- 多个PPI工具是公开可用的,用于研究.
相关概念视频
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-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
Ligand Binding Sites
12.8K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
12.8K
Protein Complexes with Interchangeable Parts
1.8K
1.8K
Conserved Binding Sites
4.2K
Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally...
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally...
4.2K
Proteomics
7.3K
A proteome is the entire set of proteins that a cell type produces. We can study proteomes using the knowledge of genomes because genes code for mRNAs, and the mRNAs encode proteins. Although mRNA analysis is a step in the right direction, not all mRNAs are translated into proteins.
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
7.3K


