SMi's Advances and Progress in Drug Design, held in London, included topics covering new developments in the field of drug design. This conference report highlights selected presentations on targeting GPCRs and kinases, virtual screening for hit and lead identification, and the ChEMBL database for drug discovery. One investigational drug, losmapimod (GlaxoSmithKline plc), was discussed.
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Biophys J
January 2025
Theoretical Physics of Living Matter, Institute of Biological Information Processing and Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich, Germany. Electronic address:
Translocation across barriers and through constrictions is a mechanism that is often used in vivo for transporting material between compartments. A specific example is apicomplexan parasites invading host cells through the tight junction that acts as a pore, and a similar barrier crossing is involved in drug delivery using lipid vesicles penetrating intact skin. Here, we use triangulated membranes and energy minimization to study the translocation of vesicles through pores with fixed radii.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Respiratory Medicine, Nagasaki University Graduate School of Biomedical Sciences, Nagasaki, Japan.
Multidrug resistance in the pathogenic fungus Candida glabrata is a growing global threat. Here, we study mechanisms of multidrug resistance in this pathogen. Exposure of C.
View Article and Find Full Text PDFNat Commun
January 2025
College of Chemistry, Nankai University, Tianjin, China.
Pathogenic intracellular bacteria pose a significant threat to global public health due to the barriers presented by host cells hindering the timely detection of hidden bacteria and the effective delivery of therapeutic agents. To address these challenges, we propose a tandem diagnosis-guided treatment paradigm. A supramolecular sensor array is developed for simple, rapid, accurate, and high-throughput identification of intracellular bacteria.
View Article and Find Full Text PDFBMJ Open
January 2025
Department of Epidemiology and Health Statistics, Fujian Provincial Key Laboratory of Environment Factors and Cancer, School of Public Health, Fujian Medical University, Fuzhou, Fujian, China
Aims: To investigate the associations between influencing factors with length of stay (LOS) and hospitalisation expenses in oral cancer (OC) patients, and to explore the potential pathways through which these factors influence hospitalisation expenses using path analysis.
Design: Cross-sectional.
Setting: A comprehensive tertiary hospital in southeastern China.
BMJ Open
January 2025
Department of General Practice, University College Cork, Cork, Ireland
Objectives: To describe the prevalence of sub-optimal monitoring for selected higher-risk medicines in older community-dwelling adults and to evaluate patient characteristics and outcomes associated with sub-optimal monitoring.
Study Design: Retrospective observational study (2011-2015) using historical general practice-based cohort data and linked dispensing data from a national pharmacy claims database.
Setting: Irish primary care.
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