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 …
Polyfluorinated groups in medicinal chemistry
Introduction of novel and diverse functional groups in drug discovery is always seen with
hesitancy until good activity and low toxicity characteristics are proven. The introduction of …
hesitancy until good activity and low toxicity characteristics are proven. The introduction of …
Kinetic resolution of the atomic 3D structures formed by ground and excited conformational states in an RNA dynamic ensemble
Knowing the 3D structures formed by the various conformations populating the RNA free-
energy landscape, their relative abundance, and kinetic interconversion rates is required to …
energy landscape, their relative abundance, and kinetic interconversion rates is required to …
[HTML][HTML] Mn2+-sensing mechanisms of yybP-ykoY orphan riboswitches
Gene regulation in cis by riboswitches is prevalent in bacteria. The yybP-ykoY riboswitch
family is quite widespread, yet its ligand and function remained unknown. Here, we …
family is quite widespread, yet its ligand and function remained unknown. Here, we …
Mg2+ Shifts Ligand-Mediated Folding of a Riboswitch from Induced-Fit to Conformational Selection
KC Suddala, J Wang, Q Hou… - Journal of the American …, 2015 - ACS Publications
Bacterial riboswitches couple small-molecule ligand binding to RNA conformational
changes that widely regulate gene expression, rendering them potential targets for antibiotic …
changes that widely regulate gene expression, rendering them potential targets for antibiotic …
[HTML][HTML] Ligand modulates cross-coupling between riboswitch folding and transcriptional pausing
Numerous classes of riboswitches have been found to regulate bacterial gene expression in
response to physiological cues, offering new paths to antibacterial drugs. As common …
response to physiological cues, offering new paths to antibacterial drugs. As common …
Single transcriptional and translational preQ1 riboswitches adopt similar pre-folded ensembles that follow distinct folding pathways into the same ligand-bound …
KC Suddala, AJ Rinaldi, J Feng, AM Mustoe… - Nucleic acids …, 2013 - academic.oup.com
Riboswitches are structural elements in the 5′ untranslated regions of many bacterial
messenger RNAs that regulate gene expression in response to changing metabolite …
messenger RNAs that regulate gene expression in response to changing metabolite …
Advances in RNA labeling with trifluoromethyl groups
C Eichler, M Himmelstoß, R Plangger… - … A European Journal, 2023 - Wiley Online Library
Fluorine labeling of ribonucleic acids (RNA) in conjunction with 19F NMR spectroscopy has
emerged as a powerful strategy for spectroscopic analysis of RNA structure and dynamics …
emerged as a powerful strategy for spectroscopic analysis of RNA structure and dynamics …
Structure and function of pseudoknots involved in gene expression control
A Peselis, A Serganov - Wiley Interdisciplinary Reviews: RNA, 2014 - Wiley Online Library
Natural RNA molecules can have a high degree of structural complexity but even the most
complexly folded RNAs are assembled from simple structural building blocks. Among the …
complexly folded RNAs are assembled from simple structural building blocks. Among the …
[HTML][HTML] A chemical probe based on the PreQ1 metabolite enables transcriptome-wide mapping of binding sites
S Balaratnam, C Rhodes, DD Bume, C Connelly… - Nature …, 2021 - nature.com
The role of metabolite-responsive riboswitches in regulating gene expression in bacteria is
well known and makes them useful systems for the study of RNA-small molecule …
well known and makes them useful systems for the study of RNA-small molecule …