DGIdb 5.0:为精准医学和药物发现平台重建药物基因相互作用数据库
Matthew Cannon1, James Stevenson1, Kathryn Stahl1
1Steve and Cindy Rasmussen Institute for Genomic Medicine, Nationwide Children's Hospital, Columbus, OH 43205, USA.
Nucleic acids research
|November 12, 2023
概括
更新的药物基因相互作用数据库 (DGIdb) 5.0通过新的架构,GraphQL API和扩展数据源来增强药物发现管道,以提高数据的可访问性和可重复使用性.
科学领域:
- 生物信息学是一种生物信息学.
- 药物基因组学 药物基因组学
- 计算生物学 计算生物学
背景情况:
- 药物基因相互作用数据库 (DGIdb) 是汇总药物基因相互作用的重要资源.
- 之前的版本为研究人员和临床医生促进了假设生成.
研究的目的:
- 介绍DGIdb 5.0,详细介绍其架构和功能增强.
- 改善整合到临床和药物发现工作流程中.
- 增强数据的可访问性,互操作性和可重复使用性.
主要方法:
- 将服务重新构建成单独的客户端和服务器应用程序.
- 使用ReactJS开发了一个新的Web界面,具有动态可视化.
- 实现了一个 GraphQL API,用于可定制的数据查询.
- 整合了六个新的数据源 (ChemIDplus,HemOnc,NCIt,Drugs@FDA,HGNC,RxNorm) 并更新了现有的数据源.
- 使用模块化正常化器增强药物和基因分组方法.
主要成果:
- 通过Web接口和API实现一致的数据访问.
- 通过 GraphQL API 启用灵活且可定制的数据检索.
- 扩展了数据库,增加了新的药物基因相互作用记录和注释.
- 在 DGIdb.com 中改进了 FAIR 数据原则 (可查找性,可访问性,互操作性,可重复使用性).
- 治疗性监管批准状态的增强注释.
结论:
- DGIdb 5.0为药物发现和临床应用提供了一个强大的平台.
- 架构和数据的增强显著提高了数据的实用性和集成.
- 更新后的资源支持用于药物基因相互作用的高级查询和数据分析.
更多相关视频
07:40A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions
Published on: May 27, 2021
4.2K
08:15Author Spotlight: Network Pharmacology and Molecular Docking to Decipher the Action of Jiawei Shengjiang San Against Diabetic Kidney Disease
Published on: May 10, 2024
598
相关概念视频
Drug Discovery: Overview
8.0K
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...
8.0K
Structure-Activity Relationships and Drug Design
734
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...
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...
734
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
4.0K
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,...
4.0K
