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

E2 Reaction: Stereochemistry and Regiochemistry02:43

E2 Reaction: Stereochemistry and Regiochemistry

Elimination reactions of alkyl halides can yield one or more alkenes depending on the specific regiochemical and stereochemical considerations. While the regiochemistry of the reaction governs the location of the double bond in the product, the stereochemical requirements often influence the geometry.
When a substrate with two different β hydrogens undergoes an E2 elimination, the presence of a strong base can yield two regioisomeric alkenes. The more-substituted alkene is the major product and...
Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...

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

Integrating Conformational Sampling and Siamese Learning to Predict Mutation-Induced Binding Affinity Changes in Abelson Tyrosine Kinase and Its Ligands.

Journal of chemical theory and computation·2026
Same author

Ligand Binding Prediction on Pharmaceutical and Nucleic Acid Targets by the CoDock Group in CASP16.

Proteins·2025
Same author

Fusing Domain Knowledge with a Fine-Tuned Large Language Model for Enhanced Molecular Property Prediction.

Journal of chemical theory and computation·2025
Same author

Correction to "Discovery and Functional Characterization of a Recombinant Fragment of Human Collagen Type XVII".

Journal of agricultural and food chemistry·2025
Same author

Discovery and Functional Characterization of a Recombinant Fragment of Human Collagen Type XVII.

Journal of agricultural and food chemistry·2025
Same author

Identifying Natural Products as Feline Coronavirus M<sup>pro</sup> Inhibitors by Structural-Based Virtual Screening and Enzyme-Based Assays.

ACS omega·2025

相关实验视频

Updated: Jul 3, 2026

gP2S, an Information Management System for CryoEM Experiments
13:01

gP2S, an Information Management System for CryoEM Experiments

Published on: June 10, 2021

5.3K

E3Docker:用于潜在的E3绑定器发现的对接服务器.

Kejia Yan1, Wangqiu He1, Mingwei Pang1

  • 1Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.

Nucleic acids research
|May 8, 2025
PubMed
概括
此摘要是机器生成的。

E3Docker是一个新的计算工具,有助于发现用于向蛋白降解 (TPD) 药物发现的新型E3结合剂. 它分析了成千上万的E3结合酶结构,以预测潜在的结合剂,帮助治疗开发.

更多相关视频

Author Spotlight: Exploring ShiDuGao's Multi-Target Approach in Anus Eczema Treatment
12:34

Author Spotlight: Exploring ShiDuGao's Multi-Target Approach in Anus Eczema Treatment

Published on: January 12, 2024

719
Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology
10:25

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

200

相关实验视频

Last Updated: Jul 3, 2026

gP2S, an Information Management System for CryoEM Experiments
13:01

gP2S, an Information Management System for CryoEM Experiments

Published on: June 10, 2021

5.3K
Author Spotlight: Exploring ShiDuGao's Multi-Target Approach in Anus Eczema Treatment
12:34

Author Spotlight: Exploring ShiDuGao's Multi-Target Approach in Anus Eczema Treatment

Published on: January 12, 2024

719
Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology
10:25

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

200

科学领域:

  • 生物化学 生物化学
  • 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:

  • 向蛋白降解 (TPD) 是一种控制细胞蛋白水平的治疗策略.
  • 向蛋白质溶解的嵌合体和分子粘剂将感兴趣的蛋白质与E3结合酶连接起来,以进行蛋白质体降解.
  • 人类基因组含有600多个E3链酶,为新药发现提供了潜力.

研究的目的:

  • 介绍E3Docker,这是一个在线计算工具,旨在发现E3绑定器.
  • 为了促进新的E3连接酶的识别,用于基于TPD的药物开发.

主要方法:

  • 收集和整合了4474个3D结构的1075个Homo sapiens E3连接酶.
  • 使用实验性绑定连接体或DeepPocket预测定义的可使用药物的口袋.
  • 采用CoDock-Ligand作为一个对接引擎来估计潜在的E3绑定器亲和力.

主要成果:

  • E3Docker提供了一个用户友好的界面,用于分析超过1000个E3结合酶.
  • 该工具为化合物生成结合姿势和亲和度得分.
  • 它有助于发现E3结合酶的新型结合剂.

结论:

  • E3Docker是针对向蛋白质降解的E3结合剂发现的宝贵资源.
  • 该计算工具可以加速开发新的基于TPD的治疗方法.
  • 为了研究目的,可以自由访问E3Docker服务器.