CNS drug development is characterized by an especially high attrition rate, despite clear unmet medical needs
in the field of neuro-pharmacology and significant investment in R&D of novel CNS drug treatments. Here, we overview
the issues underlying the intrinsic difficulty of CNS drugs development, including obstacles of pharmacokinetic nature
and lack of predictivity of preclinical tests. We highlight current efforts to overcome these limitations, with an emphasis
on modeling opportunities towards early recognition of CNS candidates (stressing the possibilities of multi-target directed
ligands or “magic shotguns”) and different approaches to improve CNS bioavailability.
Keywords: ADMET models, biomarkers, CNS drugs, in vitro models, in silico models, multi-target directed ligands.
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