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DC-SIGN, a C-type lectin receptor expressed on antigen presenting cells, is crucial for pathogen recognition and immune modulation. While most glycomimetic DC-SIGN ligands are mannose-based, fucose-based ligands offer enhanced selectivity, potentially reducing off-target effects. This study reports the stereoselective synthesis of aryl α-L-fucosides and their binding affinity for DC-SIGN. Using H-N HSQC NMR and a competition assay, we identified 3-trifluoromethylphenyl α-L-fucoside as the best ligand, exhibiting both and IC values in a three-digit micromolar range and binding not only to the canonical site, but also to a secondary allosteric site.
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http://dx.doi.org/10.1039/d5ob00472a | DOI Listing |
PLoS One
September 2025
Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.
Polar protic and aprotic solvents can effectively simulate the maturation of breast carcinoma cells. Herein, the influence of polar protic solvents (water and ethanol) and aprotic solvents (acetone and DMSO) on the properties of 3-(dimethylaminomethyl)-5-nitroindole (DAMNI) was investigated using density functional theory (DFT) computations. Thermodynamic parameters retrieved from the vibrational analysis indicated that the DAMNI's entropy, heat capacity, and enthalpy increased with rising temperature.
View Article and Find Full Text PDFPLoS One
September 2025
Department of Pharmacy, Affiliated Hospital of Guangdong Medical University, Zhanjiang, Guangdong Province, China.
Background: Ankylosing spondylitis (AS), a chronic inflammatory disorder affecting axial joints, is frequently complicated by uveitis. However, the molecular mechanisms linking AS to secondary uveitis remain poorly understood.
Methods: We integrated transcriptomic datasets from AS (GSE73754) and uveitis (GSE194060) cohorts to identify shared molecular pathways.
Elife
September 2025
Institute of Biophysical Chemistry and Center for Biomolecular Magnetic Resonance, Goethe University, Frankfurt am Main, Germany.
The p53 transcription factor family consists of the three members p53, p63, and p73. Both p63 and p73 exist in different isoforms that are well characterized. Isoforms have also been identified for p53 and it has been proposed that they are responsible for increased cancer metastasis.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Frontiers Science Center for New Organic Matter, State Key Laboratory of Medicinal Chemical Biology, College of Life Sciences and Academy for Advanced Interdisciplinary Studies, Nankai University, Tianjin 300071, PR China.
Antigen-capturing nanomaterials hold great promise for cancer immunotherapy; however, the need for tumor localized administration and limited antigen-binding affinity remains the "Achilles heel" of this strategy. Herein, we present a tumor microenvironment (TME)-activatable nanoplatform, TDR848@FPB, designed for systemic administration and enhanced covalent capture of tumor-associated antigens (TAAs), enabling effective immunotherapy with minimal off-target effects and independent of localized tumor administration. This platform encapsulates a photosensitizer-conjugated, light-activated toll-like receptor (TLR) agonist, which induces immunogenic cell death and triggers a pro-inflammatory TME conducive to antigen capture upon light irradiation.
View Article and Find Full Text PDFMol Divers
September 2025
Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11942, Al Kharj, Saudi Arabia.
Cyclin-dependent kinase 20 (CDK20), also known as cell cycle-related kinase (CCRK), plays a pivotal role in hepatocellular carcinoma (HCC) progression by regulating β-catenin signaling and promoting uncontrolled proliferation. Despite its emerging significance, selective small-molecule inhibitors of CDK20 remain unexplored. In this study, a known CDK20 inhibitor, ISM042-2-048, was employed as a reference to retrieve structurally similar compounds from the PubChem database using an 85% similarity threshold.
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