反义寡核苷酸类似物的分子模拟。

IF 4.7 2区 医学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Nucleic acid therapeutics Pub Date : 2025-08-01 Epub Date: 2025-07-03 DOI:10.1089/nat.2025.0014
Rodrigo Galindo-Murillo
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引用次数: 0

摘要

反义寡核苷酸(ASOs)是一种短的合成核酸,专门与RNA的互补序列结合。由于它们能够通过RNase h介导的靶标还原和剪接调节来调节基因表达,因此它们已成为研究和医学中强有力的工具。分子动力学模拟和分子建模在ASOs的研究、设计和优化中起着至关重要的作用。这些计算技术提供了分子水平上ASOs的结构、行为和相互作用的详细见解。在这里,我们总结了计算化学工具在aso研究中的应用,并讨论了每种方法的优缺点。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Modeling of Antisense Oligonucleotide Analogs.

Antisense oligonucleotides (ASOs) are short, synthetic nucleic acids designed to specifically bind to complementary sequences of RNA. They have become powerful tools in research and medicine due to their ability to modulate gene expression through RNase H-mediated target reduction as well as splice modulation. Molecular dynamics simulations and molecular modeling play critical roles in the study, design, and optimization of ASOs. These computational techniques provide detailed insights into the structure, behavior, and interactions of ASOs at the molecular level. Here, we present a summary of the applications of computational chemistry tools in the study of ASOs and discuss the strengths and disadvantages of each approach.

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来源期刊
Nucleic acid therapeutics
Nucleic acid therapeutics BIOCHEMISTRY & MOLECULAR BIOLOGY-CHEMISTRY, MEDICINAL
CiteScore
7.60
自引率
7.50%
发文量
47
审稿时长
>12 weeks
期刊介绍: Nucleic Acid Therapeutics is the leading journal in its field focusing on cutting-edge basic research, therapeutic applications, and drug development using nucleic acids or related compounds to alter gene expression. The Journal examines many new approaches for using nucleic acids as therapeutic agents or in modifying nucleic acids for therapeutic purposes including: oligonucleotides, gene modification, aptamers, RNA nanoparticles, and ribozymes.
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