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The orchestration of ever larger conformational changes is made possible by the development of increasingly complex foldamers. Aromatic sheets, a rare motif in synthetic foldamer structures, have been designed so as to form discrete stacks of intercalated aromatic strands through the self-assembly of two identical subunits. Ion-mobility ESI-MS confirms the formation of compact dimers. X-ray crystallography reveals the existence of two distinct conformational dimeric states that require large changes to interconvert. Molecular dynamics simulation validates the stability of the two conformations and the possibility of their interconversion.
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http://dx.doi.org/10.1002/anie.202014670 | DOI Listing |
Int J Biol Macromol
September 2025
College of Food Science and Technology, Hebei Agricultural University, 289 Lingyusi Road, Baoding, Hebei, 071001, PR China. Electronic address:
Polysaccharides and polyphenols are major bioactive constituents of plant-based foods, and their efficacy is often modulated by intermolecular interactions. In this study, non-covalent binary complexes of Hovenia dulcis polysaccharides (HDPs) and quercetin were synthesized via molecular self-assembly. Structural characterization confirmed the successful non-covalent association of quercetin onto alcohol-precipitated HDP fractions-HDPs30, HDPs50, and HDPs70.
View Article and Find Full Text PDFBioorg Chem
September 2025
Department of Pharmaceutical Technology, JIS University, 81, Nilgunj Road, Agarpara, Kolkata 700109, West Bengal, India; Department of Pharmacy, University of Salerno, Via Giovanni Paolo II, 132, 84084 Fisciano, SA, Italy. Electronic address:
Dipeptidyl peptidase-4 (DPP-4) is a multifaceted enzyme that orchestrates a variety of physiological and pathological processes, making it a pivotal target in the treatment of several diseases. Notably, the role of DPP-4 extends beyond its well-documented involvement in glucose metabolism and type 2 diabetes mellitus (T2DM) management, where DPP-4 inhibitors (gliptins) have gained prominence. Emerging evidence highlights its significant functions in immune regulation, cardiovascular diseases, cancer, and inflammatory disorders.
View Article and Find Full Text PDFJ Phys Chem B
September 2025
Institute of Chemistry and Biochemistry, Freie Universität Berlin, 14195 Berlin, Germany.
HMGB1, a nuclear DNA-binding protein, can be secreted by activated immune cells or passively released from damaged cells. In such cases, HMGB1 functions as an alarmin that activates the immune system. Excessive inflammation may lead to pathogenesis, whereas this response can be dampened by polyanion binding, which impedes further receptor recognition.
View Article and Find Full Text PDFACS Nano
September 2025
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.
Nanoparticles bind to proteins in cells selectively and form a protein corona around them. However, the mechanisms of protein conformational changes underlying the interactions between nanoparticles and protein coronas remain poorly understood. In this study, we prepared small molecule self-assembled nanoparticles (Aloin NPs) as a research tool to investigate the allosteric mechanism of protein coronas.
View Article and Find Full Text PDFCommun Biol
September 2025
Department of Pharmacology, UT Southwestern Medical Center, Dallas, 75390, TX, USA.
The WNK-OSR1/SPAK protein kinase pathway regulates ion homeostasis and cell volume, but its other functions are not well understood. To discover undefined signaling functions, we utilized experimentally-derived binding specificity to predict interactions and relative affinities with the conserved C-terminal (CCT) domains of OSR1 and SPAK, which bind short linear motifs. The upstream kinases WNKs 1-4 and their relatives, the pseudokinases NRBP1/2, also contain CCT-like domains which have conserved folds and motif binding pockets.
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