Science

Ligand-based methods as potential solutions to GPCR drug discovery limitations

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G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family of membrane receptors. They are implicated in many human pathologies, and they represent an exceptionally important class of receptors to be studied, as they are crucial to key physiological functions from neurotransmission to cell growth to blood pressure regulation. A […]

Science

Computational Chemistry in Blood Brain Barrier penetration for CNS Drug Discovery

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The challenges of CNS Drug Discovery  In the last decades, few clinically active drugs for brain disorders were identified, and many research projects have been abandoned because of drawbacks in the drug discovery pipeline. One of the main CNS drug discovery challenges, is to understand the mechanisms that govern blood–brain barrier permeability. This is mainly due to the physical restriction of the membrane as well as the activity of efflux transporters present, that create an obstacle to drug delivery into […]