Discovery of -(1,2,4-Thiadiazol-5-yl)benzo[]oxepine-4-carboxamide Derivatives as Novel Antiresistance Androgen Receptor Antagonists.

The ligand-binding pocket of the androgen receptor (AR) is the targeting site of all clinically used AR antagonists. However, various drug-resistant mutations emerged in the pocket. We previously reported a new targeting site at the dimer interface of AR (dimer interface pocket) and identified a novel antagonist M17-B15 that failed in oral administration.

Switching CO2 Electroreduction toward C2+ Products and CH4 by Regulate the Protonation and Dimerization in Platinum/Copper Catalysts.

Copper (Cu)-based catalysts exhibit distinctive performance in the electrochemical CO2 reduction reaction (CO2RR) with complex mechanism and sophisticated types of products. The management of key intermediates *CO and *H is a necessary factor for achieving high product selectivity, but lack of efficient and versatile strategies. Herein, we designed Pt modified Cu catalysts to effectively modulate the competitive coverage of those intermediates.

Ion bridging enables high-voltage polyether electrolytes for quasi-solid-state batteries.

Polyether electrolytes have been widely recognized for their favorable compatibility with lithium-metal, yet they are hampered by intrinsically low oxidation thresholds, limiting their potential for realizing high-energy Li-metal batteries. Here, we report a general approach involving the bridge joints between non-lithium metal ions and ethereal oxygen, which significantly enhances the oxidation stability of various polyether electrolyte systems. To demonstrate the feasibility of the ion-bridging strategy, a Zn ion-bridged polyether electrolyte (Zn-IBPE) with an extending electrochemical stability window of over 5 V is prepared, which enables good cyclability in 4.

Artificial intelligence in peptide-based drug design.

Protein-protein interactions (PPIs) are fundamental to a variety of biological processes, but targeting them with small molecules is challenging because of their large and complex interaction interfaces. However, peptides have emerged as highly promising modulators of PPIs, because they can bind to protein surfaces with high affinity and specificity. Nonetheless, computational peptide design remains difficult, hindered by the intrinsic flexibility of peptides and the substantial computational resources required.