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Computer-aided design of novel anthranilic diamides containing fluorinated alkoxy groups as potential ryanodine receptor insecticides.
Pest Manag Sci
January 2025
State Key Laboratory of Elemento-Organic Chemistry, Department of Chemistry, Nankai University, Tianjin, China.
Background: Increasing the diversity of lead compounds has been shown to enhance the efficacy of diamide insecticides. Fifty novel compounds were precisely designed and synthesized utilizing fragment-based assembly and virtual screening coupling.
Results: The median lethal concentration (LC) values of compounds X-30 and X-40 against Mythimna separata were 0.
Elafibranor, a dual PPARα and PPARδ agonist, reduces alcohol-associated liver disease: Lessons from a mouse model.
World J Gastroenterol
January 2025
Carmen Laboratory, INSERM Unit 1060-Lyon 1 University, Pierre Benite 69310, France.
Metabolic dysfunction-associated steatotic liver disease (MASLD) is a highly prevalent liver pathology in need of novel pharmacological treatments to complement lifestyle-based interventions. Nuclear receptor agonists have been under scrutiny as potential pharmacological targets and as of today, resmetirom, a thyroid hormone receptor b agonist, is the only approved agent. The dual PPAR α and δ agonist elafibranor has also undergone extensive clinical testing, which reached the phase III clinical trial but failed to demonstrate a beneficial effect on MASLD.
View Article and Find Full Text PDFEngineering hydrogen bonding at tyrosine-201 in the orange carotenoid protein using halogenated analogues.
Photosynth Res
January 2025
Faculty of Biology, Lomonosov Moscow State University, Moscow, Russia.
The Orange Carotenoid Protein (OCP) is a unique water-soluble photoactive protein that plays a critical role in regulating the balance between light harvesting and photoprotective responses in cyanobacteria. The challenge in understanding OCP´s photoactivation mechanism stems from the heterogeneity of the initial configurations of its embedded ketocarotenoid, which in the dark-adapted state can form up to two hydrogen bonds to critical amino acids in the protein's C-terminal domain, and the extremely low quantum yield of primary photoproduct formation. While a series of experiments involving point mutations within these contacts helped us to identify these challenges, they did not resolve them.
View Article and Find Full Text PDFCrystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-hepta-fluoro-2-(3-[(2,3,3,4,4,5,5-hepta-fluoro-cyclo-penten-1-yl)-oxy]-2-{[(2,3,3,4,4,5,5-hepta-fluoro-cyclo-penten-1-yl)-oxy]meth-yl}-2-methyl-prop-oxy)cyclo-pentene.
Acta Crystallogr E Crystallogr Commun
January 2025
Department of Chemistry United States Air Force Academy,Colorado Springs CO 80840 USA.
In the title compound, CHFO, a central -hybridized carbon atom is decorated with three hepta-fluoro-2-meth-yloxy(cyclo-pent-1-ene) arms and a methyl group. The primary packing is determined by C-F⋯F-C inter-actions, forming [001] chains, which are consolidated weaker C-F⋯F-C and C-H⋯F-C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F inter-actions (53.
View Article and Find Full Text PDFSynthesis, Spectroscopic Characterization, Structural Analysis, and Evaluation of Anti-Tumor, Antimicrobial, and Antibiofilm Activities of Halogenoaminopyrazoles Derivatives.
Antibiotics (Basel)
November 2024
Department of Microbiology, Faculty of Biology, University of Bucharest, 1-3 Aleea Portocalelor St., 060101 Bucharest, Romania.
New haloaminopyrazole derivatives differing in the number of pyrazole nuclei - and -, respectively, were synthesized and characterized by H-NMR, C-NMR, IR, UV-Vis, and elemental analysis. The single-crystal X-ray diffraction method was used to describe compounds and . When tested on normal NCTC fibroblasts in vitro, the newly synthesized derivatives were shown to be non-cytotoxic at a dosage of 25 μg/mL.
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