Pharmacophore-Based Discovery of Substrates of a Novel Drug/Proton-Antiporter in the Human Brain Endothelial hCMEC/D3 Cell Line

Pharmacophore-Based Discovery of Substrates of a Novel Drug/Proton-Antiporter in the Human Brain Endothelial hCMEC/D3 Cell Line

A drug/proton-antiporter, whose the molecular structure is still unknown, was previously evidenced at the blood-brain barrier (BBB) by functional experiments. The computational method could help in the identification of substrates of this solute carrier (SLC) transporter. Two pharmacophore models fo...

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Bibliographic Details
Main Authors: Maria Smirnova, Laura Goracci, Gabriele Cruciani, Laetitia Federici, Xavier Declèves, Hélène Chapy, Salvatore Cisternino
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Pharmaceutics
Subjects:
blood-brain barrier
biological transport
computational chemistry
drug delivery
FLAPpharm approach
in silico
Online Access:https://www.mdpi.com/1999-4923/14/2/255

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https://www.mdpi.com/1999-4923/14/2/255

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