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
Preclinical Development: Overview01:28

Preclinical Development: Overview

5.8K
Preclinical development consists of a series of tests that ensure the safety and efficacy of a new therapeutic compound before it is tested in humans. There are four main phases to this process. First, safety pharmacology tests are conducted to ensure the drug does not produce any acutely harmful effects. These tests examine parameters such as bronchoconstriction, cardiac dysrhythmias, blood pressure changes, and ataxia. Next, preliminary toxicological testing is performed to determine the...
5.8K
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

1.7K
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...
1.7K
Therapeutic Drug Monitoring: Overview and Classification01:16

Therapeutic Drug Monitoring: Overview and Classification

293
Therapeutic Drug Monitoring (TDM) is a clinical practice that measures specific drug levels in a patient's blood at designated intervals to ensure the drug concentration stays within a therapeutic range. This monitoring is crucial for optimizing individual dosage regimens, enhancing therapeutic efficacy, and minimizing drug-related toxicity. TDM is vital for drugs with narrow therapeutic windows, significant variability in pharmacokinetics, and a clear correlation between plasma levels and...
293
Targets for Drug Action: Overview01:26

Targets for Drug Action: Overview

10.0K
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...
10.0K
Drug Administration and Therapy Phases: Overview01:26

Drug Administration and Therapy Phases: Overview

1.2K
Drugs, the chemical agents used in diagnosing, treating, or preventing diseases, undergo a four-phase process of development: pharmaceutic, pharmacokinetics, pharmacodynamics, and therapeutic.
The pharmaceutical phase focuses on leveraging the physicochemical properties of the drug to design and manufacture an effective product. Variants include orally administered tablets or capsules, topical creams or ointments, and parenteral-delivery solutions or emulsions.
The pharmacokinetic phase...
1.2K

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

AI decodes protein-ligand binding.

Nature chemical biology·2026
Same author

Generative Replica Exchange: A Flow-Based Framework for Accelerating Replica-Exchange Simulations.

Journal of chemical theory and computation·2026
Same author

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

Nature protocols·2026
Same author

EpiMII: Structure-Aware Graph Neural Networks for MHC-II Epitope Generation.

Research (Washington, D.C.)·2026
Same author

Overcoming Resistance in the Androgen Receptor: Rational and Strategic Design of Advanced Antagonists.

Accounts of chemical research·2026
Same author

Targeting the intrinsically disordered AR-NTD through a machine learning-based enhanced sampling workflow.

Nature communications·2026

相关实验视频

Updated: Jan 12, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

1.6K

宏循环-DB:基于宏循环的药物发现的综合数据库.

Minchuan Jiang1, Tianyue Liu2, Muzammal Hussain3,4

  • 1State Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education, Guangzhou City Key Laboratory of Precision Chemical Drug Development, School of Pharmacy, Jinan University, Guangzhou 510632, China.

Nucleic acids research
|November 3, 2025
PubMed
概括
此摘要是机器生成的。

宏循环-DB是一个新的在线数据库,包含超过45,000个宏循环化合物用于药物发现. 该资源集中了结构,生物活性和物理化学数据,以帮助研究人员开发基于宏观循环的新型治疗方法.

更多相关视频

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
Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

1.4K

相关实验视频

Last Updated: Jan 12, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

1.6K
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
Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

1.4K

科学领域:

  • 药用化学 医学化学
  • 计算机化药物设计技术
  • 化学生物学 化学生物学

背景情况:

  • 由于其独特的特性,宏观循环在药物设计中越来越重要.
  • 现有的关于宏循环的实验数据庞大但碎片化,阻碍了有效的药物发现.
  • 需要一个集中,全面的资源来支持基于宏观循环的药物开发.

研究的目的:

  • 介绍Macrocycle-DB,这是对宏环化合物最广泛的在线数据库.
  • 提供一个集中的平台,以访问药物发现所必需的宏循环数据.
  • 通过提供专门的描述符和可下载数据集来促进计算药物设计.

主要方法:

  • 对宏环化合物的大量数据集的编制 (45,925).
  • 包括结构信息,实验生物活性和物理化学性质.
  • 合晶结构,专业描述符和支架/链接器细节的整合.

主要成果:

  • 宏循环DB包含45,925种化合物,包括76种已批准的药物和105种临床候选药物.
  • 该数据库涵盖了针对2533种蛋白质的宏循环,为每个化合物提供了丰富的数据.
  • 包括用于可视化蛋白质-连接体相互作用和可下载数据集的共同晶体结构.

结论:

  • 宏循环-DB 作为一个主要的,集中资源,以宏循环为基础的药物发现.
  • 该数据库通过提供全面的数据和用于计算设计的工具,显著帮助研究人员.
  • 宏观循环DB是免费访问的,促进科学界更广泛地使用它.