相关实验视频

Updated: Jan 19, 2026

Author Spotlight: Emerging Technologies and Advanced Tools for Decoding Metabolomics Data Analysis

Author Spotlight: Emerging Technologies and Advanced Tools for Decoding Metabolomics Data Analysis

Published on: November 10, 2023

控制多药学的抗瘤剂的数据驱动构建

Chenxiao Da¹, Dehui Zhang¹, Michael Stashko¹

¹Center for Integrative Chemical Biology and Drug Discovery, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy , University of North Carolina at Chapel Hill , Chapel Hill , North Carolina 27599-7363 , United States.

Journal of the American Chemical Society

|September 10, 2019

概括

这项研究引入了一种用于设计向癌症药物的计算方法. 这种方法可以选择性地抑制TYRO3,AXL和MERTK (TAM) 氨酸激酶,从而扰乱癌细胞的生长.

科学领域:

生物化学
医学化学
计算生物学

背景情况:

选择性药物向对于有效的癌症治疗至关重要.
氨酸激酶的TYRO3,AXL和MERTK (TAM) 家族与各种癌症有关.
在药物设计中,实现受限制的多药学是一个挑战.

研究的目的:

开发一个合理的,数据驱动的策略来设计选择性抗瘤剂.
针对高特异性的氨酸激酶的TAM家族.
在临床前模型中证明设计抑制剂的有效性.

主要方法:

使用基于结构环境中的碎片 (FRASE) 的计算方法.
来自结构和化学基因组数据库的蒸化学信息.
在蛋白质口袋中直接组装三维抑制器结构.

主要成果:

设计的抑制剂与TAM氨酸激酶进行了选择性接触.
在酶测定和癌细胞系 (ALL/AML,NSCLC) 中,抑制剂破坏了致癌表型.
射线晶体学证实了结构的合理性;化合物在体内显示出强烈的抑制作用.

结论:

通过FRASE方法可以合理设计选择性激酶抑制剂.
向抑制TAM激酶是一种可行的抗瘤治疗策略.
这种方法对开发新型癌症疗法具有前景.

更多相关视频

Construction and Implantation of a Microinfusion System for Sustained Delivery of Neuroactive Agents.

Construction and Implantation of a Microinfusion System for Sustained Delivery of Neuroactive Agents.

Published on: March 17, 2008

A Data-Driven Approach to Quantifying Immune States in Sepsis

A Data-Driven Approach to Quantifying Immune States in Sepsis

Published on: February 7, 2025

相关概念视频

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data

We present CorrelationCalculator and Filigree, two tools for data-driven network construction and analysis of metabolomics data. CorrelationCalculator supports building a single interaction network of metabolites based on expression data, while Filigree allows building a differential network, followed by network clustering and enrichment analysis.

Chemical Agents for Microbial Control

Chemical Agents for Microbial Control

Chemicals play important roles in controlling microbial growth by targeting microbial structures and functions as sanitizers, antiseptics, disinfectants, and sterilants.Alcohols are commonly used sanitizers, effectively disrupting lipid membranes, which compromises cell integrity. They are also used as antiseptics and disinfectants due to their rapid action and versatility.Phenols and their derivatives phenolics , known for denaturing proteins and disrupting cell membranes, are particularly...

Construction and Implantation of a Microinfusion System for Sustained Delivery of Neuroactive Agents.

Construction and Implantation of a Microinfusion System for Sustained Delivery of Neuroactive Agents.

As neuroscience inquiry becomes more sophisticated, investigation of brain structures and circuitry requires improved levels of accuracy and higher resolution. We have developed a method for the preparation and implantation of a chronic infusion system within the brain utilizing a borosilicate microcannula with a tip diameter of 50...

A Data-Driven Approach to Quantifying Immune States in Sepsis

A Data-Driven Approach to Quantifying Immune States in Sepsis

This study investigates the immune condition in sepsis by analyzing the quantitative relationships among white blood cells, lymphocytes, and neutrophils in sepsis patients and healthy controls using data visualization analysis and three-dimensional numerical fitting to establish a mathematical model.

Construction and Operation of a Light-driven Gold Nanorod Rotary Motor System

Construction and Operation of a Light-driven Gold Nanorod Rotary Motor System

Plasmonic gold nanorods can be trapped in liquids and rotated at kHz frequencies using circularly-polarized optical tweezers. Introducing tools for Brownian dynamics analysis and light scatteringspectroscopy leads to a powerful system for research and application in numerous fields of...

Measurement of BK-polyomavirus Non-Coding Control Region Driven Transcriptional Activity Via Flow Cytometry

Measurement of BK-polyomavirus Non-Coding Control Region Driven Transcriptional Activity Via Flow Cytometry

In this manuscript, a protocol is presented to perform FACS-based measurement of BK-polyomavirus transcriptional activity by using HEK293T cells transfected with a bidirectional reporter plasmid expressing tdTomato and eGFP. This method further allows to quantitatively determine the influence of novel compounds on viral...