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

Drug Discovery: Overview01:26

Drug Discovery: Overview

10.9K
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...
10.9K
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

1.6K
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...
1.6K
Fundamental Mathematical Principles in Pharmacokinetics: Calculus and Graphs01:21

Fundamental Mathematical Principles in Pharmacokinetics: Calculus and Graphs

3.0K
The fundamental mathematical principles, such as calculus and graphs, play crucial roles in analyzing drug movement and determining pharmacokinetic parameters. Differential calculus examines rates of change and helps to determine the dissolution rate of drugs in biofluids, as well as how drug concentrations change over time. For instance, it can help calculate the rate of elimination of a drug from the body based on its concentration-time profile.
On the other hand, integral calculus focuses on...
3.0K
Fundamental Mathematical Principles in Pharmacokinetics: Mathematical Expressions and Units01:19

Fundamental Mathematical Principles in Pharmacokinetics: Mathematical Expressions and Units

1.4K
Mathematical principles play a crucial role in pharmacokinetics, providing a framework for understanding and quantifying drug distribution and elimination dynamics in the body. By utilizing mathematical expressions and units, pharmacologists can accurately characterize the behavior of drugs, optimize dosing regimens, and predict therapeutic outcomes.
One significant application of mathematics in pharmacokinetics is the characterization of drug distribution through the volume of distribution...
1.4K
Patch Clamp01:18

Patch Clamp

6.2K
Many fundamental cell functions such as muscle contraction and nerve transmission rely on the electrical signals produced by the movement of positively and negatively charged ions across the cell membrane. One competent method to record current flowing across the whole cell or single ion channel is the patch-clamp technique.
In this method, a glass micropipette containing electrolyte solution is tightly sealed against a small portion of the cell membrane. As a result, a patch of the cell...
6.2K
Analysis of Population Pharmacokinetic Data01:12

Analysis of Population Pharmacokinetic Data

648
Analysis of population pharmacokinetic data involves studying the behavior of drugs within diverse populations to understand their pharmacokinetic parameters. Traditional pharmacokinetic methods typically involve collecting samples from a few individuals and estimating these parameters. While these methods are commonly used, they have limitations in capturing the variability in drug response among individuals or heterogeneous populations. Population pharmacokinetics is employed to address these...
648

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

Analysis of monoclonal antibodies against the malaria invasion complex protein RIPR reveals the structural basis for synergistic antibody protection.

Immunity·2026
Same author

ANARCII enables alignment-free antigen receptor numbering using a generalised language model.

Communications biology·2026
Same author

iNOS modulates inflammatory responses in an NO-independent manner through direct interaction with IRG1 in mitochondria.

Nature metabolism·2026
Same author

Rational discovery of therapeutic PAK1 allosteric activators.

Cell·2026
Same author

Ginkgo Datapoints Antibody Developability Competition outcomes: limited model performance and a call for data standardization.

mAbs·2026
Same author

LICHEN enables light-chain immunoglobulin sequence generation conditioned on the heavy chain and experimental needs.

Communications biology·2026

相关实验视频

Updated: Jan 7, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.1K

从算法到系统:将计算集成到药物发现中

Anthony R Bradley1,2, Adrian Rossall2, Garry Pairaudeau2

  • 1Department of Chemistry, University of Liverpool, Liverpool, UK.

Expert opinion on drug discovery
|December 25, 2025
PubMed
概括

计算药物发现面临着成本和时间方面的挑战. 采用现代数据基础设施,自动化和人工智能 (AI) 可以加速临床前研究并提高效率.

科学领域:

  • 计算化学是一种计算化学.
  • 药物发现 药物发现
  • 生物信息学是一种生物信息学.

背景情况:

  • 临床前药物发现受到日益增加的时间表和成本的阻碍,尽管计算技术的进步.
  • 虽然软件,数据和自动化提供了强大的工具,但它们降低成本和时间的潜力尚未完全实现.

研究的目的:

  • 讨论药物发现能力的演变.
  • 探索现代数据基础设施,包括云原生平台,主动学习和实验室自动化.
  • 涵盖新兴技术,如基于LLM的编排和仿真,说明成功和挑战.

主要方法:

  • 审查现代数据基础设施 (云原生平台,主动学习).
  • 实验室自动化和新兴技术的探索 (基于LLM的编排,仿真).
  • 分析实施实例,突出成功和挑战.

主要成果:

  • 人工智能为药物发现提供了一个新的范式,需要文化和技术转变.
  • 需要可扩展和强大的计算药物发现工具.
  • 专注于从数据和自动化中学习效率是加速设计周期的关键.

结论:

关键词:
药物发现 药物发现积极学习是积极学习.人工智能的人工智能是人工智能.实验室自动化 实验室自动化模块化系统是一个模块化系统.

更多相关视频

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

10.1K
A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions
07:40

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

Published on: May 27, 2021

4.5K

相关实验视频

Last Updated: Jan 7, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.1K
Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

10.1K
A Data Integration Workflow to Identify Drug Combinations Targeting Synthetic Lethal Interactions
07:40

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

Published on: May 27, 2021

4.5K
  • 更广泛地采用具有更好的经济性模块化,可互操作的自动化单元至关重要.
  • 建议在统计方法中优先考虑学习效率而不是绝对的预测准确性.
  • 整合人工智能和自动化可以显著改善临床前药物发现.