Over a decade ago, nanotechnologists began research on applications of nanomaterials for medicine. This research has revealed a wide range of different challenges, as well as many opportunities. Some of these challenges are strongly related to informatics issues, dealing, for instance, with the management and integration of heterogeneous information, defining nomenclatures, taxonomies and classifications for various types of nanomaterials, and research on new modeling and simulation techniques for nanoparticles. Nanoinformatics has recently emerged in the USA and Europe to address these issues. In this paper, we present a review of nanoinformatics, describing its origins, the problems it addresses, areas of interest, and examples of current research initiatives and informatics resources. We suggest that nanoinformatics could accelerate research and development in nanomedicine, as has occurred in the past in other fields. For instance, biomedical informatics served as a fundamental catalyst for the Human Genome Project, and other genomic and -omics projects, as well as the translational efforts that link resulting molecular-level research to clinical problems and findings.
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http://dx.doi.org/10.2147/IJN.S24582 | DOI Listing |
Beilstein J Nanotechnol
November 2024
Entelos Institute, Larnaca 6059, Cyprus.
ACS Omega
November 2024
Christus University Center, 60160-230 Fortaleza, CE, Brazil.
Silver nanoparticles (AgNP) have gained significant attention due to their unique pharmacological properties. These nanoparticles have been found to possess antimicrobial, anti-inflammatory, and antioxidant activities, making them promising candidates for various medical applications. The coating characteristics of oxcarbazepine (OXC), a drug used in epilepsy treatment, on the AgNP icosahedral clusters were investigated using molecular dynamics (MD) simulations and noncovalent interactions (NCI) and Independent Gradient Model (IGM) analysis.
View Article and Find Full Text PDFComput Struct Biotechnol J
December 2024
NovaMechanics MIKE, Piraeus 18545, Greece.
Modelling Data (MODA) reporting guidelines have been proposed for common terminology and for recording metadata for physics-based materials modelling and simulations in a CEN Workshop Agreement (CWA 17284:2018). Their purpose is similar to that of the Quantitative Structure-Activity Relationship (QSAR) model report form (QMRF) that aims to increase industry and regulatory confidence in QSAR models, but for a wider range of model types. Recently, the WorldFAIR project's nanomaterials case study suggested that both QMRF and MODA templates are an important means to enhance compliance of nanoinformatics models, and their underpinning datasets, with the FAIR principles (Findable, Accessible, Interoperable, Reusable).
View Article and Find Full Text PDFEnviron Sci Nano
April 2024
Center for Environmental Measurement and Modeling, Office of Research and Development, U.S. Environmental Protection Agency, 109 T.W. Alexander Drive, Research Triangle Park, NC 27711, USA.
Comput Toxicol
May 2024
Contractor to the National Nanotechnology Coordination Office, Alexandria, VA USA.
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