利用人工智能来融合用于药物标识的表型特征:计算建模方面的进展
Fengming Chen1, Ranran Zhao2, Xingxing Han3
1State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, No. 16, South Xiaojie, Dongzhimen Inner, Dongcheng District, Beijing 100700 PR China.
Briefings in bioinformatics
|February 9, 2026
概括
使用基因表达数据的计算模型有效地预测多目标药物相互作用 (DTI). 这种方法绕过了结构数据的需求,加速了药物发现,并推进了精准医学.
科学领域:
- 计算生物学是一种计算生物学.
- 药理学 药理学是指药理学的学科.
- 生物信息学是一种生物信息学.
背景情况:
- 传统的药物向相互作用 (DTI) 预测方法通常需要广泛的结构性或向特定数据.
- 基因表达特征提供了一个数据驱动的替代方案,利用转录特征进行功能推断.
- 现型信息整合桥梁选和目标预测,创造了一个新的目标识别范式.
研究的目的:
- 审查和比较目前用于目标识别的计算方法,重点是基于基因表达的方法来预测DTI.
- 突出基因表达分析在药物发现中的优势,特别是在数据有限的情况下.
- 为多目标DTI预测提供有关数据库,方法和未来方向的指导.
主要方法:
- 使用大规模基因表达数据对三种主要计算模型类型的分析:基于生物网络,基于协会和多式联结.
- 每种型号的优势和局限性的比较.
- 讨论包括数据集成,算法优化和多omics融合在内的挑战.
主要成果:
- 基于基因表达的模型能够在没有明确结构数据的情况下推断DTI的功能性推断,在数据有限的场景中证明有价值.
- 计算DTI模型作为有效的假设生成工具,降低实验成本和加速药物发现.
- 将表型信息与计算分析的整合促进了精准医学的发展,并有助于理解复杂的疾病机制.
结论:
- 基因表达造型提供了一种强大而通用的方法来预测多目标药物相互作用.
- 计算DTI模型对于产生假设,降低成本和加速药物发现管道至关重要.
- 未来的研究应该专注于数据集成,算法优化和多omics融合,以充分利用基因表达数据来进行先进的药物预测和精准医学.
相关概念视频
01:26Reclosers and Fuses
485
Automatic circuit reclosers enhance the protection of distribution circuits by interrupting and auto-reclosing an AC circuit according to a preset sequence. They effectively manage temporary faults on overhead distribution lines, often caused by tree limbs or wildlife, by briefly disrupting service to improve overall reliability. However, contact with reclosers or energized broken conductors on the ground can pose serious hazards.
A comprehensive protection scheme for radial distribution...
A comprehensive protection scheme for radial distribution...
485
01:26Targets for Drug Action: Overview
10.5K
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...
10.5K
01:23Circuit Breaker and Fuse Selection
616
A circuit breaker is a device engineered to interrupt fault currents and sometimes reclose automatically. When a fault current is detected, the breaker separates the electrical contacts, which generates an arc. This arc is extinguished by methods such as elongation, cooling, or splitting, depending on the breaker's design. Breakers are categorized based on the voltage they operate at and the medium used for arc extinction, such as air, oil, SF6 gas, or vacuum.
In high-voltage systems,...
In high-voltage systems,...
616
02:07Tumor Progression
7.5K
Tumor progression is a phenomenon where the pre-formed tumor acquires successive mutations to become clinically more aggressive and malignant. In the 1950s, Foulds first described the stepwise progression of cancer cells through successive stages.
Colon cancer is one of the best-documented examples of tumor progression. Early mutation in the APC gene in colon cells causes a small growth on the colon wall called a polyp. With time, this polyp grows into a benign, pre-cancerous tumor. Further...
Colon cancer is one of the best-documented examples of tumor progression. Early mutation in the APC gene in colon cells causes a small growth on the colon wall called a polyp. With time, this polyp grows into a benign, pre-cancerous tumor. Further...
7.5K
01:10Computed Tomography
8.9K
Tomography refers to imaging by sections. Computed tomography (CT) is a non-invasive imaging technique that uses computers to analyze several cross-sectional X-rays to reveal minute details about structures in the body.
The technique was invented in the 1970s and is based on the principle that as X-rays pass through the body, they are absorbed or reflected at different levels. In the technique, a patient lies on a motorized platform while a computerized axial tomography (CAT) scanner rotates...
The technique was invented in the 1970s and is based on the principle that as X-rays pass through the body, they are absorbed or reflected at different levels. In the technique, a patient lies on a motorized platform while a computerized axial tomography (CAT) scanner rotates...
8.9K
03:03mTOR Signaling and Cancer Progression
4.9K
The mammalian target of rapamycin or mTOR protein was discovered in 1994 due to its direct interaction with rapamycin. The protein gets its name from a yeast homolog called TOR. The mTOR protein complex in mammalian cells plays a major role in balancing anabolic processes such as the synthesis of proteins, lipids, and nucleotides and catabolic processes, such as autophagy in response to environmental cues, such as availability of nutrients and growth factors.
The mTOR pathway or the...
The mTOR pathway or the...
4.9K