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Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease.
Viruses
January 2025
Department of Biochemistry and Molecular Biotechnology, University of Massachusetts Chan Medical School, Worcester, MA 01605, USA.
Enterovirus-D68 (EV68) continues to present as a global health issue causing respiratory illness and outbreaks associated with long-lasting neurological disease, with no antivirals or specific treatment options. The development of antiviral therapeutics, such as small-molecule inhibitors that target conserved proteins like the enteroviral 3C protease, remains to be achieved. While various 3C inhibitors have been investigated, their design does not consider the potential emergence of drug resistance mutations.
View Article and Find Full Text PDFElucidating the Origins of High Capacity in Iron-Based Conversion Materials: Benefit of Complementary Advanced Characterization toward Mechanistic Understanding.
Acc Chem Res
January 2025
Institute of Energy: Sustainability, Environment and Equity (I:SEE), State University of New York at Stony Brook, Stony Brook, New York 11794, United States.
ConspectusLithium-ion batteries are recognized as an important electrochemical energy storage technology due to their superior volumetric and gravimetric energy densities. Graphite is widely used as the negative electrode, and its adoption enabled much of the modern portable electronics technology landscape. However, developing markets, such as electric vehicles and grid-scale storage, have increased demands, including higher energy content and a diverse materials supply chain.
View Article and Find Full Text PDFHighly stable lithium metal anodes enabled by bimetallic metal-organic frameworks derivatives-modified carbon cloth.
J Colloid Interface Sci
January 2025
College of Energy, Soochow Institute for Energy and Materials Innovations, Soochow University, Suzhou 215006 China. Electronic address:
Lithium (Li) metal anodes hold great promise for next-generation secondary batteries with high energy density. Unfortunately, several problems such as Li dendrite growth, low Coulombic efficiency and poor cycle life hinder the commercialization of Li metal anodes. Herein, we design a highly lithiophilic carbon cloth host modified with Sn-doped zinc oxide (ZnO) (ZnSn-CC) directly derived from a bimetallic ZnSn metal-organic framework (ZnSn-MOF), which boosts uniform Li plating/stripping during charge-discharge and effectively protects the Li metal anode.
View Article and Find Full Text PDFStructure-Based Rational Design and Evaluation of BET-Aurora Kinase Dual-Inhibitors for Treatment of Cancers.
J Med Chem
January 2025
Department of Medicinal Chemistry, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China.
Simultaneous inhibition of the bromodomain and extra-terminal domain and Aurora kinases is a promising anticancer therapeutic strategy. Based on our previous study on BET-kinase dual inhibitors, we employed the molecular docking approach to design novel dual BET-Aurora kinase A inhibitors. Through several rounds of optimization and with the guidance of the solved cocrystal structure of BRD4 bound to inhibitor , we finally obtained a series of highly potent dual BET-Aurora kinase A inhibitors.
View Article and Find Full Text PDFUnraveling the Role of Polyoxometalates-Based Superchaotropes on the Photophysics of Organic Molecules and Modulation of Water Dynamics in a Hydrophilic Block Copolymer Solution.
Langmuir
January 2025
Department of Chemistry, Indian Institute of Technology Patna, Patna 801103, Bihar, India.
Polyoxometalates (POMs) are composed of nanometric metal-oxide anions and have rich solution chemistry. In this class, Keggin POMs have been identified as the most influential inorganic additives for aqueous nonionic soft matter systems. POMs being at the borderline of classical ions and charged colloids possess fascinating solution properties; the present work aims to delve deeper into the interactions between nanoions and nonionic soft matters from a spectroscopic point of view.
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