Chromium is extensively used in leather, chrome plating and refining industries. On one hand the occupational exposure to chromium leads to cancer, whereas on the contrary certain Cr(III) compounds have been proposed as nutritional supplements for Type II diabetes and as muscle building agents. Despite the positive outlook of chromium as a bio-essential element, there is increasing concern over the therapeutic application of Cr(III) based supplements, its bioavailability and toxicity profile. In this perspective, we discuss the role of ligand structure in mediating the interaction of chromium(III) complexes with DNA/protein, their mutagenic outcomes, adduct reparability and as nutritional supplements.
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http://dx.doi.org/10.1039/c2dt32124f | DOI Listing |
Acta Pharmacol Sin
January 2025
Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai, 201210, China.
Computational target identification plays a pivotal role in the drug development process. With the significant advancements of deep learning methods for protein structure prediction, the structural coverage of human proteome has increased substantially. This progress inspired the development of the first genome-wide small molecule targets scanning method.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Applied Chemistry, Faculty of Engineering, University of Miyazaki, 1-1 Nishi, Gakuen-Kibanadai, Miyazaki, 889-2192, Japan.
The ligand-docking behavior of hevein, the major latex protein from the rubber tree Hevea brasiliensis (Euphorbiaceae), has been investigated by the unguided molecular dynamics (MD) simulation method. An oligosaccharide molecule, initially placed in an arbitrary position, was allowed to move around hevein for a prolonged simulation time, on the order of microseconds, with the expectation of spontaneous ligand docking of the oligosaccharide molecule to the binding site of hevein. In the binary solution system consisting of a hevein molecule and a chito-trisaccharide (GlcNAc) molecule, three out of the six separate simulation runs successfully reproduced the complex structure of the observed binding from.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Beijing Institute of Technology, School of Chemistry and Chemical Engineering, 8th Liangxiang East Road, Room 829, Eco-Industrial Building, Beijing, 102488, Beijing, CHINA.
The structural isomerism of atomically precise nanoclusters provides a preeminent theoretical model to investigate the structure-property relationships. Herein, we synthesized three bowl-like polyoxometalate (POM)-encapsulated Ag nanoclusters (denoted as {Ag14(Sb3W30)2}-1, {Ag14(Sb3W30)2}-1a, and {Ag14(Sb3W30)2}-2) via a facile one-pot solvothermal approach. Among them, for the first time, an unprecedented isomeric {Ag14}10+ nanoclusters are obtained in polyoxoanions {Ag14(Sb3W30)2}-1 and {Ag14(Sb3W30)2}-2, which should be probably induced by the different distribution of coordinating O atoms in two isomeric bowl-like {Sb3W30} ligands.
View Article and Find Full Text PDFMol Immunol
January 2025
Chinese Medicine Research and Development Center, China Medical University Hospital, Taichung, Taiwan; Graduate Institute of Integrated Medicine, College of Chinese Medicine, China Medical University, Taichung, Taiwan; Master Program of Pharmaceutical Manufacture, College of Pharmacy, China Medical University, Taichung, Taiwan; Department of Medical Laboratory Science and Biotechnology, College of Medical and Health Science, Asia University, Taichung, Taiwan. Electronic address:
The immunoglobulin E (IgE) receptor FcεRI (Fc epsilon RI) plays a crucial role in allergic reactions. Recent studies have indicated that the interaction between FcεRIβ and the downstream protein phospholipase C beta 3 (PLCβ3) leads to the production of inflammatory cytokines. The aim of this study was to develop small molecules that inhibit the protein-protein interactions between FcεRIβ and PLCβ3 to treat allergic inflammation.
View Article and Find Full Text PDFInorg Chem
January 2025
Institute of Resource Ecology, Helmholtz-Zentrum Dresden-Rossendorf, Dresden 01328, Germany.
Heteroleptic An (An = U, Np) chlorido-ketoenaminate complexes of the type [AnCl(TFB-BuA)(THF)] ( type: , ; TFB-BuA = 4-(-butylamino)-1,1,1-trifluorobut-3-en-2-one) and the homoleptic Np heteroarylalkenolate complexes [Np(PyTFP)] (, PyTFP = 1-(pyridin-2-yl)-3,3,3-trifluoroprop-1-en-2-ol) and [Np(DMOTFP)] (, DMOTFP = 1-(4,5-dimethyloxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol) were synthesized and characterized (SC-XRD, NMR, Vis-NIR, MS). While their solid-state structures compare well to those of their uranium analogues, the behavior in solution showed significant differences. The binding motif of the DMOTFP ligand in complex can change to form two different complex isomers, as seen by paramagnetic chemical shifts in NMR experiments.
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