This paper summarises work in chemoinformatics carried out in the Information School of the University of Sheffield during the period 2002-2014. Research studies are described on fingerprint-based similarity searching, data fusion, applications of reduced graphs and pharmacophore mapping, and on the School's teaching in chemoinformatics.
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http://dx.doi.org/10.1002/minf.201500004 | DOI Listing |
PLoS Pathog
January 2025
Biotechnology and Bioengineering, Sandia National Laboratories, Livermore, California, United States of America.
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) continues to persist, demonstrating the risks posed by emerging infectious diseases to national security, public health, and the economy. Development of new vaccines and antibodies for emerging viral threats requires substantial resources and time, and traditional development platforms for vaccines and antibodies are often too slow to combat continuously evolving immunological escape variants, reducing their efficacy over time. Previously, we designed a next-generation synthetic humanized nanobody (Nb) phage display library and demonstrated that this library could be used to rapidly identify highly specific and potent neutralizing heavy chain-only antibodies (HCAbs) with prophylactic and therapeutic efficacy in vivo against the original SARS-CoV-2.
View Article and Find Full Text PDFJ Public Health Manag Pract
January 2025
Department of Environmental Medicine and Public Health (Mr Bland, Dr Zajac, Ms Guel, Dr Pendley, Dr Galvez, Dr Sheffield), Icahn School of Medicine at Mount Sinai, New York, New York; Harvard Kenneth C. Griffin Graduate School of Arts and Sciences (Mr Wilson), Boston, Massachusetts; Environmental Research and Translation for Health (EaRTH) Center (Ms Charlesworth), University of California, San Francisco, California; Community Engagement Core, Environmental Health Sciences Center at Department of Environmental Medicine (Dr Korfmacher), University of Rochester Medical Center, Rochester, New York; Pediatric Environmental Health and Cincinnati Children's Hospital Medical Center (Dr Newman), Cincinnati, Ohio; Philadelphia Regional Center for Children's Environmental Health, Center of Excellence in Environmental Toxicology, Perelman School of Medicine (Dr Howarth), University of Pennsylvania, Philadelphia, Pennsylvania; and Division of Academic General Pediatrics, Children's Hospital at Montefiore (Dr Balk), Albert Einstein College of Medicine, Bronx, New York.
The integration of environmental health (EH) into routine clinical care for children is in its early stages. The vision of pediatric EH is that all clinicians caring for children are aware of and able to help connect families to needed resources to reduce harmful environmental exposures and increase health-enhancing ones. Environmental exposures include air pollution, substandard housing, lead, mercury, pesticides, consumer products chemicals, drinking water contaminants, industrial facility emissions and, increasingly, climate change-related extreme weather and heat events.
View Article and Find Full Text PDFMethods Protoc
January 2025
Department of Pharmacy and Biomedical Sciences, University of Central Lancashire, Preston PR1 2HE, UK.
Multi-drug delivery systems have gained increasing interest from the pharmaceutical industry. Alongside this is the interest in amorphous solid dispersions as an approach to achieve effective oral delivery of compounds with solubility-limited bioavailability. Despite this, there is limited information regarding predicting the behavior of two or more drugs (in amorphous forms) in a polymeric carrier and whether molecular interactions between the compounds, between each compound, and if the polymer have any effect on the physical properties of the system.
View Article and Find Full Text PDFNPJ Antimicrob Resist
October 2024
Department of Microbiology, Faculty of Medicine, Chulalongkorn University, King Chulalongkorn Memorial Hospital, Thai Red Cross Society, Bangkok, Thailand.
Persistent bacterial lung infections in children lead to significant morbidity and mortality due to antibiotic resistance. In this paper, we describe how phage therapy has shown remarkable efficacy in preclinical and clinical studies, demonstrating significant therapeutic benefits through various administration routes. Ongoing trials are evaluating its safety and effectiveness against different pathogens.
View Article and Find Full Text PDFRMD Open
January 2025
Department of Neuromuscular Diseases, University College London, London, UK
Objective: To identify the best evidence on the efficacy of treatment interventions for inclusion body myositis (IBM) and to describe their safety.
Methods: Systematic review of randomised controlled trials (RCTs) of pharmacological treatments of adults with IBM, conducted according to the Cochrane Handbook, updating a previous Cochrane review. The search strategy was run on Cochrane Neuromuscular Disease Group Specialized Register, CENTRAL, MEDLINE and EMBASE, ClinicalTrials.
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