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In drug development programmes, multiple assays are needed for the determination of protein-compound interactions and evaluation of potential use in assays with protein-protein interactions. In this protocol we describe the waterLOGSY NMR method for confirming protein-ligand binding events.
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http://dx.doi.org/10.21769/BioProtoc.3666 | DOI Listing |
JAMA Netw Open
September 2025
Oncostat U1018, Institut National de la Santé et de la Recherche Médicale (INSERM), Ligue Contre le Cancer, Paris-Saclay University, Villejuif, France.
Importance: Antibiotics, steroids, and proton pump inhibitors (PPIs) are suspected to decrease the efficacy of immunotherapy.
Objective: To explore the association of comedications with overall survival (OS) in patients with advanced non-small-cell lung cancer (NSCLC).
Design, Setting, And Participants: This nationwide retrospective cohort study used target trial emulations of patients newly diagnosed with NSCLC from January 2015 to December 2022, identified from the French national health care database.
Mol Biol Rep
September 2025
Department of Biosciences, Integral University, Kursi Road, Lucknow, 226026, India.
Background: The river ecosystems provide habitats and source of water for a number of species including humans. The uncontrolled accumulation of pollutants in the aquatic environment enhances the development of antibiotic-resistant bacteria and genes.
Methods: Water samples were collected seasonally from different sites of Gomti and Ganga River.
Mol Biol Rep
September 2025
School of Arts and Sciences, Department of Natural and Applied Sciences, The American University of Iraq-Baghdad, Baghdad, Iraq.
The COVID-19 pandemic, caused by the continuously evolving SARS-CoV-2 virus, has presented persistent global health challenges. As novel variants emerge, many with enhanced transmissibility and immune evasion capabilities, concerns have intensified regarding the efficacy of existing vaccines and therapeutics. This review provides a comprehensive overview of the current landscape of COVID-19 vaccination, including the development and performance of monovalent and bivalent boosters, and examines their effectiveness against newly emerging variants of interest (VOIs) and variants under monitoring (VUMs), such as JN.
View Article and Find Full Text PDFMetab Brain Dis
September 2025
Department of Pharmacy, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, No. 1277, Jiefang Avenue, Wuhan, Hubei, 430022, China.
Major depression disorder (MDD) is a mental condition that significantly threatens both physical and psychological health. This study aimed to discern variances in plasma metabolic profiles between MDD sufferers and healthy counterparts. Additionally, we tracked the hospitalization journey of MDD patients to investigate the normalization of metabolic irregularities through conventional treatment in the form of self-control.
View Article and Find Full Text PDFMol Divers
September 2025
Department of Biotechnology, National Institute of Technology Raipur, Raipur, Chhattisgarh, 492001, India.
Traditional drug discovery methods like high-throughput screening and molecular docking are slow and costly. This study introduces a machine learning framework to predict bioactivity (pIC₅₀) and identify key molecular properties and structural features for targeting Trypanothione reductase (TR), Protein kinase C theta (PKC-θ), and Cannabinoid receptor 1 (CB1) using data from the ChEMBL database. Molecular fingerprints, generated via PaDEL-Descriptor and RDKit, encoded structural features as binary vectors.
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