Molecular determinants of blood–brain barrier permeation
نویسندگان
چکیده
منابع مشابه
Molecular determinants of permeation in a fluoride-specific ion channel
Fluoride ion channels of the Fluc family combat toxicity arising from accumulation of environmental F-. Although crystal structures are known, the densely packed pore region has precluded delineation of the ion pathway. Here we chart out the Fluc pore and characterize its chemical requirements for transport. A ladder of H-bond donating residues creates a 'polar track' demarking the ion-conducti...
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The large surface area and the short diffusion distance from capillaries of the blood brain barrier (BBB) to the neurons facilitate the drugs and nutrients access to the brain. Penetration of chemicals to the BBB occurs using a combination of intra and intercellular passages. Tight junctions regulate the intracellular passage of molecules according to their physicochemical properties (e.g. lipo...
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The structural domains contributing to ion permeation and selectivity in K channels were examined in inward-rectifier K(+) channels ROMK2 (Kir1.1b), IRK1 (Kir2.1), and their chimeras using heterologous expression in Xenopus oocytes. Patch-clamp recordings of single channels were obtained in the cell-attached mode with different permeant cations in the pipette. For inward K(+) conduction, replac...
متن کاملAnalysing molecular polar surface descriptors to predict blood-brain barrier permeation
Molecular polar surface (PS) descriptors are very useful parameters in prediction of drug transport properties. They could be also used to investigate the blood-brain barrier (BBB) permeation rate for various chemical compounds. In this study, a dataset of drugs (n = 19) from various pharmacological groups was studied to estimate their potential properties to permeate across the BBB. Experiment...
متن کاملIn silico prediction of blood-brain barrier permeation.
This review examines the progress that is being made towards the in silico prediction of brain permeation. Following a brief introduction to the blood-brain barrier, the datasets currently available for in silico modeling are discussed. Recent developments in in silico models of brain permeation are summarized in the context of the current state of the art in prediction accuracy. An analysis of...
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ژورنال
عنوان ژورنال: Therapeutic Delivery
سال: 2015
ISSN: 2041-5990,2041-6008
DOI: 10.4155/tde.15.32