药物特异性基因选择用于药物反应预测,通过通过传播和学习生物网络进行重新排名
Minwoo Pak1, Dongmin Bang2,3, Inyoung Sung2
1Department of Computer Science and Engineering, Seoul National University, Seoul, Republic of Korea.
Frontiers in genetics
|October 7, 2024
概括
本研究介绍了DGDRP,这是一个新的图形神经网络模型,通过选择药物特异性基因来预测药物反应. 总局DRP提高了准确性,并有助于个性化医疗的生物标志物发现.
科学领域:
- 计算生物学和生物信息学
- 基因组学和系统生物学
- 药物基因组学和个性化医学
背景情况:
- 药物反应预测对于个性化医疗至关重要,可以根据遗传特征进行量身定制的治疗.
- 药物通过扰乱复杂的生物网络中的特定蛋白质和基因来影响细胞反应.
- 鉴定药物特异性基因 (生物标志物) 是了解药物机制和提高治疗疗效的关键.
研究的目的:
- 开发一种先进的计算模型,用于准确预测药物反应.
- 识别和选择生物相关的,驱动细胞反应的药物特异性基因.
- 促进生物标志物的发现,以预测药物的疗效和毒性.
主要方法:
- 拟议的DGDRP是一种基于图形神经网络 (GNN) 的模型,用于药物特异性基因选择.
- 采用了一种新的等级和再等级策略,整合了路径知识和学习的基因/药物标嵌入.
- 利用网络传播和GNN嵌入来识别与药物机制相关的基因.
主要成果:
- 与现有的基因选择方法相比,DGDRP证明了药物反应预测准确度的提高.
- 该模型的性能与最先进的深度学习方法相提并论.
- 案例研究证实,选定的基因组与已知的药物作用机制保持一致.
结论:
- 总监局提供了基于深度学习的强大重新排名框架,以提高药物反应预测.
- 该模型有效地整合了适应性基因选择的生物学途径和语义关系.
- 总干事办公室促进了准确的药物反应预测和新生物标志物发现.
相关概念视频
Drug Discovery: Overview
7.6K
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...
7.6K
Dose-Response Relationship: Selectivity and Specificity
6.5K
Drugs exert their therapeutic effects by interacting with receptors, enzymes, or ion channels that are present throughout the human body. The strength and duration of the interaction between a drug and its target receptor are characterized by the selectivity and specificity of the drug. Selectivity refers to a drug's strong preference for its intended target over other targets. For instance, isoprenaline, a non-selective β-adrenergic agonist, interacts with both β1- and...
6.5K
Structure-Activity Relationships and Drug Design
676
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...
676
Combination Therapies and Personalized Medicine
4.9K
Combining two or more treatment methods increases the life span of cancer patients while reducing damage to vital organs or tissue from the overuse of a single treatment. Combination therapy also targets different cancer-inducing pathways, thus reducing the chances of developing resistance to treatment.
The combination of the drug acetazolamide and sulforaphane is a good example of combination therapy to treat cancer. The cells in the interior of a large tumor often die due to the hypoxic and...
The combination of the drug acetazolamide and sulforaphane is a good example of combination therapy to treat cancer. The cells in the interior of a large tumor often die due to the hypoxic and...
4.9K


