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Updated: Jul 1, 2026

Network Pharmacology Prediction and Experimental Validation of Trichosanthes-Fritillaria thunbergii Action Mechanism Against Lung Adenocarcinoma
13:18

Network Pharmacology Prediction and Experimental Validation of Trichosanthes-Fritillaria thunbergii Action Mechanism Against Lung Adenocarcinoma

Published on: March 3, 2023

使用施罗丁格的Maestro和Glide预测对与结直肠癌相关的蛋白质的γ-托科特里诺和δ-托科特里诺结合的协议

Ali Qusay Khalid1, Saatheeyavaane Bhuvanendran1, Kasthuri Bai Magalingam1

  • 1Food as Medicine Research Strength, Jeffrey Cheah School of Medicine and Health Sciences, Monash University Malaysia, 47500 Bandar Sunway, Malaysia.

STAR protocols
|October 19, 2025
PubMed
概括

这项研究概述了一个分子建模协议,以预测玛-托克利诺 (γT3) 和三角-托克利诺 (δT3) 如何与结直肠癌蛋白结合. 预计delta-tocotrienol会显示出稍微更强的结合亲和力.

关键词:
癌症 癌症 癌症 癌症计算机科学 计算机科学系统生物学 系统生物学

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The Equilibrium Binding Constant and Binding Strength02:18

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The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
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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...