Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
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 JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Protein-protein Interfaces02:04

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
Quantitative Aspects of Drug-Receptor Interaction01:30

Quantitative Aspects of Drug-Receptor Interaction

1.0K
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...
1.0K
Drug Discovery: Overview01:26

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 Design01:28

Structure-Activity Relationships and Drug Design

764
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...
764
Factors Affecting Protein-Drug Binding: Drug Interactions01:23

Factors Affecting Protein-Drug Binding: Drug Interactions

194
Drug interactions are a critical aspect of pharmacology and can occur when two or more drugs compete for the same binding site. This competition can result in one drug displacing another, altering the effect of the displaced drug. Drug interactions are complex processes that rely heavily on how much of the displacer drug is present and how strongly it can bind to the same sites as the displaced drug.
Displacement interactions can have varying outcomes, ranging from toxicity to virtually...
194
Drug-Receptor Interactions01:29

Drug-Receptor Interactions

5.3K
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....
5.3K

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

CardioMetaHybridOptimizer as a behaviorally adaptive multi-phase metaheuristic framework for interpretable cardiovascular disease diagnosis.

BMC bioinformatics·2026
Same author

Hybrid quantum classical framework for electroencephalogram driven neurological processing in epileptic seizure taxonomy.

Scientific reports·2026
Same author

A Novel Deep Learning Model for Drug-drug Interactions.

Current computer-aided drug design·2024
Same author

Automating Drug Discovery using Machine Learning.

Current drug discovery technologies·2023

相关实验视频

Updated: Jul 17, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.6K

关于药物向相互作用预测的综合性审查 - 最新进展和概述

Ali K Abdul Raheem1,2, Ban N Dhannoon3

  • 1Software Department, College of Information Technology, University of Babylon, Hillah, Babil, Iraq.

Current drug discovery technologies
|September 8, 2023
PubMed
概括

预测药物向相互作用 (DTI) 通过识别分子关联来加速药物发现. 机器学习方法提供了高效的计算方法来克服DTI预测中的实验限制.

关键词:
机器学习是机器学习.化学信息学 化学信息学发现药物的发现.药物向药物相互作用药物. 药物. 这些药物.预测计算模型的预测.

更多相关视频

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.1K
Diagonal Method to Measure Synergy Among Any Number of Drugs
12:08

Diagonal Method to Measure Synergy Among Any Number of Drugs

Published on: June 21, 2018

18.6K

相关实验视频

Last Updated: Jul 17, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.6K
Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.1K
Diagonal Method to Measure Synergy Among Any Number of Drugs
12:08

Diagonal Method to Measure Synergy Among Any Number of Drugs

Published on: June 21, 2018

18.6K

科学领域:

  • 药理学 药理学是指药理学的学科.
  • 计算生物学 计算生物学
  • 药物发现 药物发现 药物发现

背景情况:

  • 药物向相互作用 (DTI) 对于调节生物功能至关重要,是药物开发的基础.
  • 识别DTI的实验方法耗时且昂贵,需要计算方法.
  • 准确的DTI预测可以显著提高效率并降低与药物发现相关的成本.

研究的目的:

  • 提供药物向相互作用的全面概述,作为药物发现的关键初步步骤.
  • 探索机器学习方法在预测DTI中的应用和有效性.
  • 审查用于DTI预测领域的相关文献和数据库.

主要方法:

  • 审查现有的文献和数据库,重点关注药物向相互作用.
  • 探索用于DTI预测的计算方法,包括对接模拟,基于联体的方法和机器学习技术.
  • 机器学习应用程序的分析,用于预测药物与其生物点之间的关联.

主要成果:

  • 药物向相互作用的预测是药物发现的重要领域,影响效率和降低成本.
  • 与传统的实验分析相比,机器学习方法为加速DTI预测提供了一个有希望的途径.
  • 该综述强调了DTI预测的多样化应用,包括药物发现,不良影响预测和药物重新定位.

结论:

  • 基于机器学习的DTI预测是简化药物开发早期阶段的关键策略.
  • 计算方法,特别是机器学习,对于克服实验性DTI识别的局限性至关重要.
  • 进一步研究和应用这些方法可以显著缩短新疗法上市的时间.