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

Dose-Response Relationship: Potency and Efficacy01:22

Dose-Response Relationship: Potency and Efficacy

4.5K
The potency of a drug is the measure of its ability to produce a biological response and can be compared by looking at the half-maximum effective concentration or EC50 values of different drugs. A lower EC50 value indicates higher potency of the drug. In the dose–response curve of two antihypertensive drugs, candesartan and irbesartan, a significant difference is observed in their EC50 values. A lower EC50 value for candesartan indicates that it is more potent than irbesartan, as it...
4.5K
Pharmacokinetic Models: Comparison and Selection Criterion01:26

Pharmacokinetic Models: Comparison and Selection Criterion

79
Physiological and compartmental models are valuable tools used in studying biological systems. These models rely on differential equations to maintain mass balance within the system, ensuring an accurate representation of the dynamic processes at play.
Physiological models take a detailed approach by considering specific molecular processes. They can predict drug distribution, metabolism, and elimination changes, providing a comprehensive understanding of how drugs interact with the body.
79
Analysis of Population Pharmacokinetic Data01:12

Analysis of Population Pharmacokinetic Data

267
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...
267
Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches01:14

Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches

141
Drug disposition in the body is a complex process and can be studied using two major approaches: the model and the model-independent approaches.
The model approach uses mathematical models to describe changes in drug concentration over time. Pharmacokinetic models help characterize drug behavior in patients, predict drug concentration in the body fluids, calculate optimum dosage regimens, and evaluate the risk of toxicity. However, ensuring that the model fits the experimental data accurately...
141
Mechanistic Models: Compartment Models in Individual and Population Analysis01:23

Mechanistic Models: Compartment Models in Individual and Population Analysis

45
Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
45
Model-Independent Approaches for Pharmacokinetic Data: Noncompartmental Analysis00:59

Model-Independent Approaches for Pharmacokinetic Data: Noncompartmental Analysis

70
Noncompartmental analyses offer an alternative method for describing drug pharmacokinetics without relying on a specific compartmental model. In this approach, the drug's pharmacokinetics are assumed to be linear, with the terminal phase log-linear. This assumption allows for simplified analysis and interpretation of the drug's behavior in the body.
One important characteristic of noncompartmental analyses is that drug exposure increases proportionally with increasing doses. This...
70

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

Evolution of assay interference concepts in drug discovery.

Expert opinion on drug discovery·2021
Same author

Adapting the DeepSARM approach for dual-target ligand design.

Journal of computer-aided molecular design·2021
Same author

Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography.

Data in brief·2021
Same author

Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions.

Journal of computer-aided molecular design·2021
Same author

Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity.

ACS omega·2021
Same author

Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics.

European journal of medicinal chemistry·2021

相关实验视频

Updated: Jul 12, 2025

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

合理化评估和比较化合物效能预测方法的一般限制.

Tiago Janela1, Jürgen Bajorath2

  • 1B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Department of Life Science Informatics and Data Science, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, 53115, Bonn, Germany.

Scientific reports
|October 19, 2023
PubMed
概括

用于预测化合物功效的基准计算是人工膨胀的. 中级强度的化合物,而不是复杂的模型,始终在结果中占主导地位,在计算药物发现中扭曲性能指标.

更多相关视频

Author Spotlight: Biological Standardization to Ensure Reproducibility and Harmonization in Research
04:50

Author Spotlight: Biological Standardization to Ensure Reproducibility and Harmonization in Research

Published on: August 4, 2023

1.1K
Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method
16:07

Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method

Published on: September 16, 2017

9.3K

相关实验视频

Last Updated: Jul 12, 2025

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
Author Spotlight: Biological Standardization to Ensure Reproducibility and Harmonization in Research
04:50

Author Spotlight: Biological Standardization to Ensure Reproducibility and Harmonization in Research

Published on: August 4, 2023

1.1K
Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method
16:07

Determination of the Relative Potency of an Anti-TNF Monoclonal Antibody mAb by Neutralizing TNF Using an In Vitro Bioanalytical Method

Published on: September 16, 2017

9.3K

科学领域:

  • 计算化学是一种计算化学.
  • 化学信息学 化学信息学
  • 药物发现 药物发现

背景情况:

  • 预测化合物功效对于计算药物发现至关重要.
  • 现有的基准显示局限性,复杂的方法表现类似于简单的控制和随机预测.

研究的目的:

  • 调查复合效能预测基准测试中人工结果背后的原因.
  • 在这些评估中确定导致业绩指标膨胀的具体因素.

主要方法:

  • 对基准计算方法的深入分析.
  • 对不同复合物活动类别的预测性能进行评估.
  • 专注于具有中等强度的化合物的贡献.

主要成果:

  • 在基准设置中的强度预测主要由中等强度的化合物驱动.
  • 这些中间化合物可以在没有复杂学习的情况下准确预测,主导基准结果.
  • 这种影响在标准基准中使用的各种活动类别中是一致的.

结论:

  • 这项研究提供了一个明确的解释,用于化合物强度预测基准观察到的局限性.
  • 研究结果表明,需要开发替代基准系统,以便在药物发现中进行更可靠的方法比较.