関連する実験動画

Updated: Sep 10, 2025

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

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JAK3共振性阻害剤に対する効果的な仮想スクリーニング戦略:多適合性コンセンサス計算と共振性ドッキングを組み合わせる

Jingyu Zhu1, Genhong Qiu2, Lei Xu3

  • 1School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China. jingyuzhu@jiangnan.edu.cn.

Molecular diversity
|August 21, 2025
PubMed
まとめ

研究者は,炎症性疾患の選択的なジャヌスキナーゼ3 (JAK3) 共同抑制剤を見つけるための新しい仮想スクリーニング方法を開発しました. このアプローチは,JAK3阻害剤の選択性を向上させることで,薬剤発見を促進します.

キーワード:
コンセンサススコアコバレンツドッキングJAK3共性阻害剤非共性分子ドッキングファルマコフォールモデル仮想スクリーニング

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関連する概念動画

Protein-Drug Binding: Determination Methods01:22

Protein-Drug Binding: Determination Methods

Determining protein-drug binding can be achieved through indirect and direct methods, each providing valuable insights into the interaction between proteins and drugs.
Indirect methods involve isolating the bound drug from its free form in biological samples such as blood, serum, or plasma. These techniques aim to measure the percentage of drugs bound to proteins. Equilibrium dialysis is a commonly used method where the free drug concentration at equilibrium is measured by separating the bound...
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Conserved Binding Sites

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Protein-Drug Binding: Mechanism and Kinetics

Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
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