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http://dx.doi.org/10.1200/PO.20.00243 | DOI Listing |
J Chem Theory Comput
September 2025
Materials DX Research Center, National Institute of Advanced Industrial Science and Technology, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan.
The quantum mechanics/molecular mechanics (QM/MM) method is a powerful approach for investigating solid surfaces in contact with various types of media, since it allows for flexible modeling of complex interfaces while maintaining an all-atom representation. The mean-field QM/MM method is an average reaction field model within the QM/MM framework. The method addresses the challenges associated with the statistical sampling of interfacial atomic configurations of a medium and enables efficient calculation of free energies.
View Article and Find Full Text PDFAnnu Rev Pharmacol Toxicol
September 2025
1Department of Physiology and Pharmacology and Center for Molecular Medicine, Karolinska Institutet and University Hospital, Stockholm, Sweden; email:
In light of the success of blockbuster drugs for type 2 diabetes and obesity based on the GLP-1 hormone, drugmakers have concentrated their efforts on developing new and improved variations that address the route of administration, dosing, pathway selectivity, or polypharmacology. While some of these modifications have demonstrated improved efficacy in clinical studies and offered exciting opportunities for treating other diseases, drug-induced shifts to the conformational landscape of target receptors may have consequences for side effects. Our review summarizes advances in the understanding of the biochemistry, pharmacogenomics, and molecular pharmacology of incretins and their cognate receptors.
View Article and Find Full Text PDFJ Bras Pneumol
September 2025
. Departamento de Pneumologia, Centro Hospitalar Universitário de São João, Porto, Portugal.
Objectives: The 9th edition of the Tumor, Node, Metastasis (TNM-9) lung cancer classification is set to replace the 8th edition (TNM-8) starting in 2025. Key updates include the splitting of the mediastinal nodal category N2 into single- and multiple-station involvement, as well as the classification of multiple extrathoracic metastatic lesions as involving a single organ system (M1c1) or multiple organ systems (M1c2). This study aimed to assess how the TNM-9 revisions affect the final staging of lung cancer patients and how these changes correlate with overall survival (OS).
View Article and Find Full Text PDFJ Leukoc Biol
September 2025
Laboratory of Immunobiology and Ionic Transport Regulation, Centro Universitario de Investigaciones Biomédicas, Universidad de Colima, Av. 25 de Julio 965, Villa de San Sebastián, 28045 Colima, México.
Ion channels are integral membrane proteins which facilitate rapid transport of small ions into and out of the cell and between organelles and cytosol. Cytolytic lymphocytes including natural killer (NK) cells principally kill virus-infected and cancer cells by releasing cytolytic granules within the immunological synapse, formed between target and effector cells. This process strongly depends on Ca2+ signaling, which in human NK cells is controlled by the phospholipase C (PLCγ)/inositol-1,4,5-triphospate receptor (IP3R)/calcium release-activated calcium channel (CRAC) axis.
View Article and Find Full Text PDFSci Adv
September 2025
State Key Laboratory of Bioinspired Interfacial Materials Science, School of Nano Science and Technology, Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou 215123, P. R. China.
Acoustic transducers require films that demonstrate both toughness and fatigue resistance, presenting notable challenges when achieved through conventional nanoscale reinforcing strategies. Here, we found that the rib structure of a cicada's tymbal exhibits exceptional toughness and fatigue resistance, attributed to its unique architecture composed of alternating soft and stiff polymer layers. Inspired by this rib structure, we developed a robust artificial rib film (ARF) using a nanoconfined crystallization strategy that involves the deposition of soft polyethylene oxide and stiff phenol formaldehyde.
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