Three-dimensional quantitative structure–activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1)

The proton-coupled amino acid transporter hPAT1 has recently gained much interest due to its ability to transport small drugs thereby allowing their oral administration. A three-dimensional quantitative structure–activity relationship (3D QSAR) study has been performed on its natural and synthetic s...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2011-11, Vol.19 (21), p.6409-6418
Hauptverfasser:	Thondorf, Iris, Voigt, Valerie, Schäfer, Sarah, Gebauer, Sabine, Zebisch, Katja, Laug, Linda, Brandsch, Matthias
Format:	Artikel
Sprache:	eng
Schlagworte:	3D QSAR Amino acid transport Amino Acid Transport Systems - antagonists & inhibitors Amino Acid Transport Systems - chemistry Amino Acid Transport Systems - metabolism amino acid transporters Biological and medical sciences Caco-2 Cells CoMSIA drugs Endocytosis hPAT1 human cell lines Humans hydrogen bonding hydrophobicity Kinetics Medical sciences Miscellaneous Models, Chemical Models, Molecular Molecular Conformation oral administration pharmacology Pharmacology. Drug treatments prediction proline Quantitative Structure-Activity Relationship quantitative structure-activity relationships screening statistical models Substrate Specificity Symporters - antagonists & inhibitors Symporters - chemistry Symporters - metabolism Virtual screening
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