In the title coordination polymer, {[Eu(C(7)H(2)NO(5))(H(2)O)(3)]·H(2)O}(n), the Eu(III) atom is eight-coordinated by a tridentate 4-oxidopyridine-2,6-dicarboxyl-ate (hpc) trianion, two monodentate hpc anions and three water mol-ecules, forming a distorted bicapped trigonal-prismatic coordination geometry. The hpc ligands bridge adjacent Eu(III) ions, forming infinite double chains. Adjacent chains are further connected by hpc ligands into sheets. O-H⋯O hydrogen bonds then generate a three-dimensional supra-molecular framework.
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http://dx.doi.org/10.1107/S1600536810048518 | DOI Listing |
PLoS Biol
January 2025
Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America.
Pathogenic mutations that cause rhodopsin misfolding lead to a spectrum of currently untreatable blinding diseases collectively termed retinitis pigmentosa. Small molecules to correct rhodopsin misfolding are therefore urgently needed. In this study, we utilized virtual screening to search for drug-like molecules that bind to the orthosteric site of rod opsin and improve its folding and trafficking.
View Article and Find Full Text PDFProtein Sci
January 2025
Department of Physical Chemistry, Institute of Biotechnology, and Unit of Excellence in Chemistry Applied to Biomedicine and Environment, School of Sciences, University of Granada, Granada, Spain.
The ubiquitin E2 variant domain of TSG101 (TSG101-UEV) plays a pivotal role in protein sorting and virus budding by recognizing PTAP motifs within ubiquitinated proteins. Disruption of TSG101-UEV/PTAP interactions has emerged as a promising strategy for the development of host-oriented broad-spectrum antivirals with low susceptibility to resistance. TSG101 is a challenging target characterized by an extended and flat binding interface, low affinity for PTAP ligands, and complex binding energetics.
View Article and Find Full Text PDFBr J Pharmacol
December 2024
INSERM UMR1149/Inflammation Research Center (CRI), Team "From Inflammation to Cancer in Digestive diseases (INDiD)", DHU UNITY, Université Paris Cité, Paris, France.
Background And Purpose: Orexins have important biological effects on the central and peripheral nervous systems. Their primary ability is to regulate the sleep-wake cycle. Orexins and their antagonists, via OX receptor have been shown to have proapoptotic and antitumor effects on various digestive cancers cell models.
View Article and Find Full Text PDFProtein Sci
January 2025
Bioinformatics Center, National Institute of Immunology, New Delhi, India.
Computational methods to predict binding affinity of protein-ligand complex have been used extensively to design inhibitors for proteins selected as drug targets. In recent years machine learning (ML) is being increasingly used for design of drugs/inhibitors. However, ranking compounds as per their experimental binding affinity has remained a major challenge.
View Article and Find Full Text PDFChem Pharm Bull (Tokyo)
November 2024
Graduate School of Pharmaceutical Sciences, The University of Tokyo.
Toll-like receptors (TLRs) play central roles in innate immune defense against infection by binding to microbial molecules. TLR7 and TLR8 are highly homologous sensors with an RNA ligand preference for single-stranded RNA (ssRNA). Recent works reveal that these TLR sense degradation products of RNA at two distinct binding sites, designated 1st site and 2nd site, rather than long ssRNA.
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