Paramagnetic chemical probes for studying biological macromolecules

Q Miao, C Nitsche, H Orton, M Overhand… - Chemical …, 2022 - ACS Publications
Paramagnetic chemical probes have been used in electron paramagnetic resonance (EPR)
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …

Fragment-based approaches to identify RNA binders

BM Suresh, A Taghavi, JL Childs-Disney… - Journal of medicinal …, 2023 - ACS Publications
Although fragment-based drug discovery (FBDD) has been successfully implemented and
well-explored for protein targets, its feasibility for RNA targets is emerging. Despite the …

Repurposing low-molecular-weight drugs against the main protease of severe acute respiratory syndrome coronavirus 2

J Gao, L Zhang, X Liu, F Li, R Ma, Z Zhu… - The Journal of …, 2020 - ACS Publications
The coronavirus disease pandemic caused by infection with the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) has affected the global healthcare system. As low …

Fluorine pseudocontact shifts used for characterizing the protein–ligand interaction mode in the limit of NMR intermediate exchange

J Gao, E Liang, R Ma, F Li, Y Liu, J Liu… - Angewandte Chemie …, 2017 - Wiley Online Library
The characterization of protein–ligand interaction modes becomes recalcitrant in the NMR
intermediate exchange regime as the interface resonances are broadened beyond …

Ligand proton pseudocontact shifts determined from paramagnetic relaxation dispersion in the limit of NMR intermediate exchange

D Xu, B Li, J Gao, Z Liu, X Niu… - The Journal of …, 2018 - ACS Publications
Delineation of protein–ligand interaction modes is key for rational drug discovery. The
availability of complex crystal structures is often limited by the aqueous solubility of the …

[HTML][HTML] Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy

L Wang, J Gao, R Ma, Y Liu, M Liu, F Zhong… - Magnetic Resonance …, 2022 - Elsevier
Considerable developments have been observed in fragment-based lead/drug discovery
(FBLD/FBDD) recently, with four drugs approved and many others under investigation …

Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen

J Li, F Zhong, M Li, Y Liu, L Wang, M Liu… - Journal of Medicinal …, 2022 - ACS Publications
Severe acute respiratory syndrome-coronavirus-1/2 (SARS-CoV-1/2) macrodomain 3
(Mac3) is critical for replication and transcription of the viral genome and is therefore a …

Cannabinoid receptor interacting protein 1a interacts with myristoylated Gαi N terminus via a unique gapped β-barrel structure

WT Booth, JE Clodfelter, S Leone-Kabler… - Journal of Biological …, 2021 - ASBMB
Cannabinoid receptor interacting protein 1a (CRIP1a) modulates CB 1 cannabinoid receptor
G-protein coupling in part by altering the selectivity for Gα i subtype activation, but the …

IGMH‐based research on the intramolecular weak interaction of TKX‐50

C Yang, H Dong, X Li, N Zhou, Y Liu… - Propellants …, 2024 - Wiley Online Library
To further comprehensively study the intramolecular weak interaction of the gaseous TKX‐
50 molecule, the two conformations of the TKX‐50 molecule were analyzed via the …

NMR fragment-based screening against tandem RNA recognition motifs of TDP-43

G Nshogoza, Y Liu, J Gao, M Liu… - International Journal of …, 2019 - mdpi.com
The TDP-43 is originally a nuclear protein but translocates to the cytoplasm in the
pathological condition. TDP-43, as an RNA-binding protein, consists of two RNA …