Search research articles

关于 JoVE

概览领导团队博客 JoVE 帮助中心

作者

出版流程编辑委员会范围与政策同行评审常见问题投稿

图书馆员

用户评价订阅访问资源图书馆顾问委员会常见问题

研究

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments 存档

教育

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual 教师资源中心教师网站

使用条款与条件

相关概念视频

Drug-Receptor Interactions

Drug-Receptor Interactions

Drug-receptor interaction describes the binding of receptors by drugs, but not all drug-receptor interactions result in activation and tissue response. For instance, the binding of agonists activates the receptor to generate a cellular reaction, while antagonists bind to receptors without causing their activation.
Several parameters, such as the drug's affinity for its receptor and its efficacy, which is its ability to activate the receptor, determine the drug's effect on the tissue....

Combined Effects of Drugs: Synergism

Combined Effects of Drugs: Synergism

Synergism is a useful mechanism where combining two or more drugs is more effective than each constituent used alone. Such combinations are also called supra-additive interactions. The drugs collectively enhance the final therapeutic effect by acting on different targets. Another advantage is that the low dose of each constituent drug is sufficient to achieve the desired effect. This helps reduce the duration of therapy and lower the adverse effects of these drugs.
Such synergistic combinations...

Quantitative Aspects of Drug-Receptor Interaction

Quantitative Aspects of Drug-Receptor Interaction

The receptor occupancy theory connects a drug's response to the number of occupied receptors. With higher drug concentrations, more receptors are occupied, leading to increased responses. The formation of drug-receptor complexes involves association and dissociation rates, which reach equilibrium when the forward and backward reactions are equal. The equilibrium association constant (Ka) and its inverse, the equilibrium dissociation constant (Kd), indicate drug affinity. Higher Ka and lower...

Pharmacokinetics: Drug–Drug Interactions

Pharmacokinetics: Drug–Drug Interactions

Drug interactions occur when the pharmacological effect of one drug is altered by another substance, either enhancing or diminishing its activity. The drug whose activity is altered is known as the object drug, and the substance causing the alteration is called the agent drug or the precipitant. The net effects of these interactions are mostly undesirable, leading to decreased effectiveness or increased adverse effects. In rare cases, interactions can be beneficial, such as the enhanced...

Drug Biotransformation: Overview

Drug Biotransformation: Overview

Pharmaceutical substances known as xenobiotics are predominantly lipophilic and nonionized. This enables them to permeate lipid bilayers, such as cell membranes, and interact with intracellular target receptors. Lipophilic drugs have an advantage in crossing biological barriers and reaching their intended sites of action. However, lipophilic drugs often have a restricted capacity for renal expulsion or elimination from the body. When these drugs enter the kidneys and undergo glomerular...

Drug Biotransformation: Overview

Drug Biotransformation: Overview

Biotransformation, also known as drug metabolism, is a vital physiological process that chemically alters drugs, facilitating their elimination from the body and terminating their action. This process involves two main phases: phase I and phase II reactions. Phase I reactions, including oxidation, reduction, and hydrolysis, introduce or unmask polar functional groups on the drug molecule, thereby increasing its water solubility. By enhancing water solubility, the drug becomes more hydrophilic...

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序

Same author

Favorable response to surufatinib in a patient with necrolytic migratory erythema: A case report.

Open life sciences·2023

Same author

Angioplasty Guidewire-Assisted vs. Conventional Transseptal Puncture for Left Atrial Appendage Occlusion: a multicentre randomized controlled trial.

Europace : European pacing, arrhythmias, and cardiac electrophysiology : journal of the working groups on cardiac pacing, arrhythmias, and cardiac cellular electrophysiology of the European Society of Cardiology·2023

Same author

Central vertical regulation and urban environment-biased technological progress: evidence from China.

Environmental science and pollution research international·2023

Same author

Smart Dual-Exsolved Self-Assembled Anode Enables Efficient and Robust Methane-Fueled Solid Oxide Fuel Cells.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2023

Same author

Ambient γ-Rays-Mediated Noble-Metal Deposition on Defect-Rich Manganese Oxide for Glycerol-Assisted H<sub>2</sub> Evolution at Industrial-Level Current Density.

Angewandte Chemie (International ed. in English)·2023

Same author

The allometric relationship between carbon emission and economic development in Yangtze River Delta: fusion of multi-source remote sensing nighttime light data.

Environmental science and pollution research international·2023

Same journal

Role of Artificial Intelligence in bioinformatics: Revolutionizing molecular docking and DNA tokenization.

Computational biology and chemistry·2026

Same journal

An interpretable framework for cancer drug response prediction using integrated drug and multi-omics data with a hybrid Bi-LSTM-GRU network.

Computational biology and chemistry·2026

Same journal

SegMWB: A lightweight deep learning framework for microscopic image classification.

Computational biology and chemistry·2026

Same journal

Protein dynamic simulations: From early inception to clinical translation over half a century.

Computational biology and chemistry·2026

Same journal

Integrated omics and virtual screening predict Tabularin as a dual inhibitor of the prognostic microRNAs mir-19a and mir-32 in colorectal cancer.

Computational biology and chemistry·2026

Same journal

In silico characterization of acetyl-CoA carboxylase from Staphylococcus aureus and Escherichia coli: A comparative analysis.

Computational biology and chemistry·2026

查看所有相关文章

Search research articles

相关实验视频

Updated: Jan 13, 2026

A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions

A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions

Published on: May 27, 2021

一个多层超图框架用于基于变压器和超图卷积的药物相互作用预测.

Lu Shen¹, Feng Hu¹, Libing Bai¹

¹Computer College of Qinghai Normal University, Xining, Qinghai 810008, China; The State Key Laboratory of Tibetan Intelligence, Xining, Qinghai 810008, China.

Computational biology and chemistry

|January 11, 2026

概括

此摘要是机器生成的。

预测药物相互作用对于安全的药物治疗至关重要. 使用变压器和超图卷积 (MLHTHC) 的新多层超图框架通过捕捉复杂的关系来提高DDI预测的准确性.

关键词:

药物相互作用药物相互作用超图形的卷积卷积.多层超图的多层超图.变压器变压器变压器

更多相关视频

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method

Published on: May 21, 2018

相关实验视频

Last Updated: Jan 13, 2026

A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions

A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions

Published on: May 27, 2021

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method

Published on: May 21, 2018

科学领域:

药理学和化学信息学
人工智能在药物发现中的作用

背景情况:

药物相互作用 (DDI) 在药物研究和临床实践中带来了重大挑战.
现有的网络模型难以捕捉复杂的,多元的协同药物相互作用.
准确的DDI预测对于提高治疗安全性和优化药物治疗方案至关重要.

研究的目的:

开发一种先进的药物相互作用 (DDI) 预测框架,克服传统模型的局限性.
有效地代表和分析药物之间的多元元素协同相互作用.
提高DDI预测的准确性和可靠性.

主要方法:

提出了一种多层超图框架,用于使用变压器和超图卷积 (MLHTHC) 预测药物相互作用.
使用化学结构,ATC代码,药物类别和目标信息构建了一个多层药物相似性超图.
采用光谱哈明相似性用于层重量确定,超图卷积网络用于节点嵌入,变压器用于特征融合,MLP用于DDI预测.

主要成果:

与DPSP和DANN等现有方法相比,MLHTHC模型表现出卓越的性能.
变压器和超图形卷积的集成显著提高了药物相互作用的预测准确性.
该框架有效地捕捉了复杂的,多元元素的协同作用的药物关系.

结论:

拟议的MLHTHC框架为预测药物相互作用提供了一个强大而有效的工具.
这种方法通过提高DDI预测能力,推进了计算药理学领域.
使用MLHTHC准确的DDI预测可以导致更安全,更有效的药物治疗.