相关实验视频

Updated: May 15, 2025

Screening Bioactive Nanoparticles in Phagocytic Immune Cells for Inhibitors of Toll-like Receptor Signaling

Screening Bioactive Nanoparticles in Phagocytic Immune Cells for Inhibitors of Toll-like Receptor Signaling

Published on: July 26, 2017

虚拟查方法用于发现类似收受体7 (TLR7) 对抗体,用于在COVID感染期间治疗类风湿性关节炎

Thangavelu Prabha¹, Saravanan Thangavelu², Dakshinesh Parameswaran³

¹Department of Pharmaceutical Chemistry, Nandha College of Pharmacy, Affiliated with The Tamil Nadu Dr. MGR Medical University, Chennai, Erode, 638052, Tamil Nadu, India.

Current rheumatology reviews

|April 10, 2025

概括

这项研究确定了用于类风湿性关节炎 (RA) 管理的新型托尔类受体7 (TLR7) 抗剂. 虚拟查揭示了潜在的抑制剂,以减轻在RA患者的COVID-19感染期间TLR7上调.

科学领域:

计算机化药物发现.
分子建模分子建模
药理学药理学是指药理学的学科.

背景情况:

类风湿性关节炎 (RA) 患者表现出较高的托尔类受体7 (TLR7) 水平.
COVID-19 感染可以进一步提高 TLR7 的调节,加剧 RA 严重程度.
现有的TLR7抗剂面临市场可用性和毒性方面的挑战.

研究的目的:

为了发现新的TLR7对抗剂来治疗RA.
在COVID-19感染期间抑制RA患者的TLR7上调.
利用虚拟查方法来进行药物发现.

主要方法:

从ZINC数据库中对化合物的虚拟选.
识别潜在的TLR7抑制剂.
结合能量和分子相互作用的分析.

主要成果:

发现了三种活跃的TLR7抑制剂.
与TLR7 (PDB ID: 6LW1) 相比,ZINC95412580的结合能是最高的 (-15.4273 kcal/mol).
顶部分子在TLR7结合口袋中表现出显著的相互作用.

结论:

发现的化合物显示出在COVID-19感染期间和之后管理RA的潜力.
这些分子可以作为TLR7上调的有效抑制剂.
虚拟查是一种可行的方法来识别治疗剂.

关键词:

在 COVID-19 疫情中,药科孔的映射绘制类风湿性关节炎类风湿性关节炎类风湿性关节炎虚拟选是一个虚拟的选.托尔类受体 7 抗剂

更多相关视频

A Cryo-pulverization Protocol for Processing Mouse Paws to Evaluate Molecular Pathways of Tissue Inflammation in a Collagen Induced Arthritis Model

A Cryo-pulverization Protocol for Processing Mouse Paws to Evaluate Molecular Pathways of Tissue Inflammation in a Collagen Induced Arthritis Model

Published on: October 30, 2019

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish

Published on: July 16, 2012

相关概念视频

The JAK-STAT Signaling Pathway

The JAK-STAT Signaling Pathway

Several cytokine receptors have tightly bound Janus kinase or JAK proteins attached at their cytosolic tail. Small signaling molecules such as cytokines, growth hormones, or prolactins bind to the cytokine receptors and initiate their dimerization. The dimerization brings the cytosolic JAKs together that trans-phosphorylate and activates each other. The activated JAKs now phosphorylate cytosolic tails of the cytokine receptors, which serve as binding sites for adaptor proteins such as SH2...