相关实验视频

Updated: Jan 12, 2026

DNA-Tethered RNA Polymerase for Programmable In vitro Transcription and Molecular Computation

DNA-Tethered RNA Polymerase for Programmable In vitro Transcription and Molecular Computation

Published on: December 29, 2021

通过基因相互作用意识的碎片建模,通过基于GPT的架构,通过转录组受条件的分子生成

Bonil Koo^1,2, Bo Kyung Park², Sun Kim^3,4,5,6

¹Interdisciplinary Program in Bioinformatics, Seoul National University, Seoul, 08826, Republic of Korea.

Scientific reports

|November 4, 2025

概括

我们开发了GGIFragGPT,这是一种新的AI模型,它使用基因表达数据来设计药物分子. 这种方法将细胞反应与化学结构联系起来,加速以表型驱动的药物发现.

科学领域:

计算化学是一种计算化学.
基因组学就是基因组学.
药物发现药物发现

背景情况:

由表型驱动的药物发现使用细胞反应来指导治疗分子设计.
转录组学提供了由于化学刺激导致的基因表达变化的数据,使分子生成和细胞表型之间的联系成为可能.
由于复杂的基因相互作用和化学可行性,将转录组数据连接到化学结构生成存在挑战.

研究的目的:

开发一种新的生成模型,GGIFragGPT,它将转录组数据与基因相互作用嵌入式集成,用于基于片段的分子生成.
通过交叉注意力机制突出显示的生物相关基因来引导分子生成过程.
为了产生符合生物背景的化学可行,新和多样化的分子.

主要方法:

开发了GGIFragGPT,一个使用自回归变压器架构的生成模型.
集成的转录基因扰动概况与生物知情的基因-基因相互作用嵌入.
采用交叉注意力机制,将基因相关性与分子生成联系起来.

主要成果:

GGIFragGPT生成了在化学上可行的,新的,多样化的分子.
生成的化合物与转录基因数据显示的生物背景保持一致.
基因层次的解释性分析确定了关键的目标基因,验证了模型的生物相关性.
案例研究表明产生了可信的抑制剂,例如CDK7.

结论:

将生物见解,特别是转录基因数据集成到化学生成过程中,对以表型驱动的药物发现具有前景.
GGIFragGPT提供了一种新的方法,将基因表达特征与向治疗分子的设计联系起来.
这项工作突出了AI在加速基于细胞表型的新药候选者的发现方面的潜力.

关键词:

基于碎片的药物发现.基因相互作用基因相互作用分子生成分子的产生.现型药物发现的发现转录组转录组就是一个转录组.变压器变压器变压器

更多相关视频

Characterization of Functionally Associated miRNAs in Glioblastoma and their Engineering into Artificial Clusters for Gene Therapy

Characterization of Functionally Associated miRNAs in Glioblastoma and their Engineering into Artificial Clusters for Gene Therapy

Published on: October 4, 2019

Rapid Assembly of Multi-Gene Constructs using Modular Golden Gate Cloning

Rapid Assembly of Multi-Gene Constructs using Modular Golden Gate Cloning

Published on: February 5, 2021

相关概念视频

What is Gene Expression?

What is Gene Expression?

A gene is a stretch of DNA that serves as the blueprint for functional RNAs and proteins. Since DNA is comprised of nucleotides and proteins are comprised of amino acids, a mediator is required to convert the information encoded in DNA into proteins. This mediator is the messenger RNA (mRNA). mRNA copies the blueprint from DNA by a process called transcription. In eukaryotes, transcription occurs in the nucleus by complementary base-pairing with the DNA template. The mRNA is then...

Conservative Site-specific Recombination and Phase Variation

Conservative Site-specific Recombination and Phase Variation

Because the DNA segments are cut and reorganized in a direction-specific manner, site-specific recombination has emerged as an efficient genetic engineering technique. Flippase and Cyclization recombinases or Flp and Cre, respectively, are two members of the tyrosine recombinase family derived from bacteriophages, that are used to mediate site-specific DNA insertions, deletions, and targeted expression of proteins in mammalian cell lines.
The recognition sites for Cre recombinase called LoxP...