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Drug discovery today.
TLDR
A wide range of new lead finding and lead optimization opportunities result from novel screening methods by NMR, which are the topic of this review article. Expand
GMI-1070, a novel pan-selectin antagonist, reverses acute vascular occlusions in sickle cell mice.
TLDR
It is found that GMI-1070 predominantly inhibited E-selectin-mediated adhesion and dramatically inhibited sRBC-leukocyte interactions, leading to improved microcirculatory blood flow and improved survival. Expand
FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation.
TLDR
The synthesis and the in vitro/in vivo evaluation of α-D-mannosides with the ability to block the bacteria/host cell interaction are described and the great potential for the effective treatment of urinary tract infections with a new class of orally available antiinfectives could be demonstrated. Expand
Oligohis‐tags: mechanisms of binding to Ni2+‐NTA surfaces
TLDR
The binding mechanism of His‐tags to Ni2+‐NTA was investigated and it was demonstrated that two His separated by either one or four residues are the preferred binding motifs within hexahis tag, and elongation of these referred motifs decreased affinity. Expand
From carbohydrate leads to glycomimetic drugs
TLDR
Examples of approved carbohydrate-derived drugs are examined, the potential of carbohydrate-binding proteins as new drug targets are discussed (focusing on the lectin families) and ways to overcome the challenges of developing this unique class of novel therapeutics are considered. Expand
Extraction and analysis of intact glucosinolates--a validated pressurized liquid extraction/liquid chromatography-mass spectrometry protocol for Isatis tinctoria, and qualitative analysis of other
TLDR
This work carried out a systematic optimization and validation of a quantitative assay for the direct analysis of intact glucosinolates in Isatis tinctoria leaves (woad, Brassicaceae) using pressurized liquid extraction (PLE). Expand
Peripheral lipopolysaccharide administration transiently affects expression of brain-derived neurotrophic factor, corticotropin and proopiomelanocortin in mouse brain
TLDR
It is suggested that peripheral inflammation causes a reduction of trophic supply in the brain, including BDNF at synaptic sites, as observed for BDNF-, CRH- and POMC mRNA levels are significantly reduced on day 3 indicating a comparable time course. Expand
Trivalent, Gal/GalNAc-containing ligands designed for the asialoglycoprotein receptor.
TLDR
A series of novel, fluorescent ligands designed to bind with high affinity and specificity to the asialoglycoprotein receptor (ASGP-R) has been synthesized and tested on human liver cells and showed the process to be receptor-mediated and selective. Expand
AcquaAlta: A Directional Approach to the Solvation of Ligand-Protein Complexes
TLDR
An algorithm is developed to reproduce water molecules bridging polar interactions between ligand and protein moieties and found that when water molecules establishing only weak interactions with the protein were neglected, the match could be improved to 88%. Expand
pKa determination by ¹H NMR spectroscopy - an old methodology revisited.
TLDR
The methodology was revisited with a diverse set of test compounds covering a broad range of pKa values and the methodology revealed excellent correlations with electropotentiometric and UV spectroscopic methods, confirming the reliability and utility of this approach. Expand
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