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Drowning in Diversity? A systematic way of clustering a representative set of new psychoactive substances
New psychoactive substances (NPS) can be generally described as a set of compounds that have been designed to mimic the effects of illegal recreational drugs, but are not subject to restriction or control with respect to ...
Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric ...
Rational design of novel fluorescent tagged glutamic acid dendrimers with different terminal groups and in-silico analysis of their properties
Dendrimers are hyperbranched polymers with a multifunctional architecture that can be tailored for the use in various biomedical applications. Peptide dendrimers are particularly relevant for drug delivery applications due ...
Poly-glutamic dendrimer-based conjugates for cancer vaccination - a computational design for targeted delivery of antigens
Computational techniques are useful to predict interaction models and molecular properties for the design of drug delivery systems, such as dendrimers. Dendrimers are hyperbranched macromolecules with repetitive building ...
Intended and Unintended Use of Cathinone Mixtures
Introduction: Cathinones are one of the most popular categories of new psychoactive substances (NPS) consumed. Cathinones have different pharmacological activities and receptor selectivity for monoamine transporters based ...