Using structure-based design, a new class of inhibitors of protein tyrosine phosphatase-1B (PTP1B) has been identified, which incorporate the 1,2,5-thiadiazolidin-3-one-1,1-dioxide template.
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http://dx.doi.org/10.1016/j.bmcl.2005.03.068 | DOI Listing |
Sensors (Basel)
December 2024
School of Physics, Xidian University, Xi'an 710071, China.
Existing tunable optical metasurfaces based on the electro-optic effect are either complex in structure or have a limited phase modulation range. In this paper, a simple rectangular metasurface structure based on a Pb(MgNb)O-PbTiO (PMN-PT) crystal with high electro-optic coefficient of 120 pm/V was designed to demonstrate its electrically tunable performance in the optical communication band through simulations. By optimizing the structure parameters, a tunable metasurface was generated that can induce a complete 2π phase shift for beam deflection while maintaining relatively uniform transmittance.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
School of Civil Engineering, Central South University, Changsha 410075, China.
Small-section steel-shell concrete immersed tube tunnels are intended for minibuses and have a low fire heat release rate. Standard fire rise curves do not apply to such tunnels. In this study, a coupled method of computational fluid dynamics (CFD) and the finite element method (FEM) was used to simulate the structural temperature distribution in tunnels.
View Article and Find Full Text PDFMolecules
December 2024
Department of Biological, Chemical and Pharmaceutical Sciences and Technologies (STEBICEF), University of Palermo, Viale delle Scienze, 90128 Palermo, Italy.
Molecular hybridization, which consists of the combination of two or more pharmacophores into a single molecule, is an innovative approach in drug design to afford new chemical entities with enhanced biological activity. In the present study, this strategy was pursued to develop a new series of 6,7-dimethoxy-4-piperazinylquinoline-3-carbonitrile derivatives (-) with potential antibiotic activity by combining the quinoline, the piperazinyl, and the benzoylamino moieties, three recurrent frameworks in antimicrobial research. Initial in silico evaluations were conducted on the designed compounds, highlighting favorable ADMET and drug-likeness properties, which were synthesized through a multistep strategy, isolated, and fully characterized.
View Article and Find Full Text PDFMolecules
December 2024
Resolute Bio, 48 Dunham Rd., Suite 5400, Beverly, MA 01915, USA.
A systematic structure-activity and computational modeling analysis of a series of glucagon-like peptide-1 receptor (GLP-1R) agonists based upon an ultra-short GLP-1 peptide, H-His-Aib-Glu-Gly-Thr-Phe-Thr-Ser-Asp-Bip-Bip-NH2, was conducted. This highly potent 11-mer peptide led to a deeper understanding of the α-helical bias of strategic α-methylation within the linear parent template as well as optimization of GLP-1R agonist potency by 1000-fold. These data were correlated with previously reported co-structures of both full-length GLP-1 analogs and progenitor N-terminal GLP-1 fragment analogs related to such ultra-short GLP-1R agonist peptides.
View Article and Find Full Text PDFFree Radic Biol Med
January 2025
Department of Pharmacology, Shenyang Pharmaceutical University103 Wenhua Road, Shenhe District, Shenyang Liaoning, 110016, P.R. China. Electronic address:
Alzheimer's disease (AD) is a progressive degenerative disease that affects a growing number of elderly individuals worldwide. OAB-14, a novel chemical compound developed by our research group, has been approved by the China Food and Drug Administration (FDA) for clinical trials in patients with AD (approval no. YD-OAB-220210).
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