Targeting RNA structures with small molecules
JL Childs-Disney, X Yang, QMR Gibaut… - Nature Reviews Drug …, 2022 - nature.com
RNA adopts 3D structures that confer varied functional roles in human biology and
dysfunction in disease. Approaches to therapeutically target RNA structures with small …
dysfunction in disease. Approaches to therapeutically target RNA structures with small …
RNA drugs and RNA targets for small molecules: principles, progress, and challenges
RNA-based therapies, including RNA molecules as drugs and RNA-targeted small
molecules, offer unique opportunities to expand the range of therapeutic targets. Various …
molecules, offer unique opportunities to expand the range of therapeutic targets. Various …
Bridging molecular docking to molecular dynamics in exploring ligand-protein recognition process: An overview
V Salmaso, S Moro - Frontiers in pharmacology, 2018 - frontiersin.org
Computational techniques have been applied in the drug discovery pipeline since the
1980s. Given the low computational resources of the time, the first molecular modeling …
1980s. Given the low computational resources of the time, the first molecular modeling …
The roles of structural dynamics in the cellular functions of RNAs
RNAs fold into 3D structures that range from simple helical elements to complex tertiary
structures and quaternary ribonucleoprotein assemblies. The functions of many regulatory …
structures and quaternary ribonucleoprotein assemblies. The functions of many regulatory …
Small molecule approaches to targeting RNA
S Kovachka, M Panosetti, B Grimaldi… - Nature Reviews …, 2024 - nature.com
The development of innovative methodologies to identify RNA binders has attracted
enormous attention in chemical biology and drug discovery. Although antibiotics targeting …
enormous attention in chemical biology and drug discovery. Although antibiotics targeting …
[HTML][HTML] Drug repurposing approach against novel coronavirus disease (COVID-19) through virtual screening targeting SARS-CoV-2 main protease
KH Chowdhury, MR Chowdhury, S Mahmud, AM Tareq… - Biology, 2021 - mdpi.com
Abstract Novel coronavirus disease (COVID-19) was identified from China in December
2019 and spread rapidly through human-to-human transmission, affecting so many people …
2019 and spread rapidly through human-to-human transmission, affecting so many people …
RNA–ligand molecular docking: Advances and challenges
With rapid advances in computer algorithms and hardware, fast and accurate virtual
screening has led to a drastic acceleration in selecting potent small molecules as drug …
screening has led to a drastic acceleration in selecting potent small molecules as drug …
RLBind: a deep learning method to predict RNA–ligand binding sites
Identification of RNA–small molecule binding sites plays an essential role in RNA-targeted
drug discovery and development. These small molecules are expected to be leading …
drug discovery and development. These small molecules are expected to be leading …
Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery
In recent years, researchers have identified certain RNAs as druggable targets for small
molecules to treat several human pathologies. However, these regulatory RNAs are …
molecules to treat several human pathologies. However, these regulatory RNAs are …
Transcriptome-Wide Studies of RNA-Targeted Small Molecules Provide a Simple and Selective r(CUG)exp Degrader in Myotonic Dystrophy
QMR Gibaut, JA Bush, Y Tong, JT Baisden… - ACS Central …, 2023 - ACS Publications
Myotonic dystrophy type 1 (DM1) is caused by a highly structured RNA repeat expansion, r
(CUG) exp, harbored in the 3′ untranslated region (3′ UTR) of dystrophia myotonica …
(CUG) exp, harbored in the 3′ untranslated region (3′ UTR) of dystrophia myotonica …