Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

Singh, Natesh; O. Villoutreix, Bruno; F. Ecker, Gerhard

doi:10.1038/s41598-019-51455-8

Public

Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

Published in Scientific Reports • Oct 21, 2019

Authors:

Natesh Singh

Bruno O. Villoutreix

Gerhard F. Ecker

Abstract

L-type Amino acid Transporter 1 (LAT1) plays a significant role in the growth and propagation of cancer cells by facilitating the cross-membrane transport of essential nutrients, and is an attractive drug target. Several halogen-containing L-phenylalanine-based ligands display high affinity and high...

Subject

Docking (animal)

Molecular mechanics

Homology modeling

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