Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods

Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1

(2018) Natesh Singh et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1)

(2018) Huan-Chieh Chien et al.   JOURNAL OF MEDICINAL CHEMISTRY

Homology Modeling Informs Ligand Discovery for the Glutamine Transporter ASCT2

(2018) Rachel-Ann A. Garibsingh et al.   Frontiers in Chemistry

Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations

(2017) Marcus Wieder et al.   Journal of Chemical Information and Modeling

Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP

(2017) Sankalp Jain et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structure-activity relationship of a novel series of inhibitors for cancer type transporter L-type amino acid transporter 1 (LAT1)

(2017) Pornparn Kongpracha et al.   JOURNAL OF PHARMACOLOGICAL SCIENCES

Thyroid hormone transport across L-type amino acid transporters: What can molecular modelling tell us?

(2017) Gerd Krause et al.   MOLECULAR AND CELLULAR ENDOCRINOLOGY

Structure–activity relations of leucine derivatives reveal critical moieties for cellular uptake and activation of mTORC1-mediated signaling

(2016) Shushi Nagamori et al.   AMINO ACIDS

Evaluating the stability of pharmacophore features using molecular dynamics simulations

(2016) Marcus Wieder et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

The mitochondrial carnitine/acylcarnitine carrier is regulated by hydrogen sulfide via interaction with C136 and C155

(2016) Nicola Giangregorio et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

LAT1 activity of carboxylic acid bioisosteres: Evaluation of hydroxamic acids as substrates

(2016) Arik A. Zur et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

LAT-1 activity of meta -substituted phenylalanine and tyrosine analogs

(2016) Evan Augustyn et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Genetic Disruption of the Multifunctional CD98/LAT1 Complex Demonstrates the Key Role of Essential Amino Acid Transport in the Control of mTORC1 and Tumor Growth

(2016) Y. Cormerais et al.   CANCER RESEARCH

Specific transport of 3-fluoro-l-α-methyl-tyrosine by LAT1 explains its specificity to malignant tumors in imaging

(2016) Ling Wei et al.   CANCER SCIENCE

Efficacy of systemlamino acid transporter 1 inhibition as a therapeutic target in esophageal squamous cell carcinoma

(2016) Yasuhiro Ohshima et al.   CANCER SCIENCE

Impaired Amino Acid Transport at the Blood Brain Barrier Is a Cause of Autism Spectrum Disorder

(2016) Dora C. Tărlungeanu et al.   CELL

A Selective and Slowly Reversible Inhibitor of l-Type Amino Acid Transporter 1 (LAT1) Potentiates Antiproliferative Drug Efficacy in Cancer Cells

(2016) Kristiina M. Huttunen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Transport of 3-fluoro-l-α-methyl-tyrosine (FAMT) by organic ion transporters explains renal background in [18F]FAMT positron emission tomography

(2016) Ling Wei et al.   JOURNAL OF PHARMACOLOGICAL SCIENCES

Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis

(2016) Bilal Nizami et al.   Molecular BioSystems

Unveiling the Mechanism of Arginine Transport through AdiC with Molecular Dynamics Simulations: The Guiding Role of Aromatic Residues

(2016) Eva-Maria Krammer et al.   PLoS One

Structure-Based Identification of Inhibitors for the SLC13 Family of Na+/Dicarboxylate Cotransporters

(2015) Claire Colas et al.   BIOCHEMISTRY

LAT1 is the transport competent unit of the LAT1/CD98 heterodimeric amino acid transporter

(2015) Lara Napolitano et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on γ-Aminobutyric Acid Transporter 1 (GAT1)

(2015) Andreas Jurik et al.   JOURNAL OF MEDICINAL CHEMISTRY

Target discovery of acivicin in cancer cells elucidates its mechanism of growth inhibition

(2015) Johannes Kreuzer et al.   Chemical Science

Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening

(2015) Claire Colas et al.   PLoS Computational Biology

Quantitative Insight into the Design of Compounds Recognized by theL-Type Amino Acid Transporter 1 (LAT1)

(2014) Henna Ylikangas et al.   ChemMedChem

Determinants of Substrate and Cation Transport in the Human Na+/Dicarboxylate Cotransporter NaDC3

(2014) Avner Schlessinger et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural bases for the interaction and stabilization of the human amino acid transporter LAT2 with its ancillary protein 4F2hc

(2014) A. Rosell et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Increased expression of system large amino acid transporter (LAT)-1 mRNA is associated with invasive potential and unfavorable prognosis of human clear cell renal cell carcinoma

(2013) Hironori Betsunoh et al.   BMC CANCER

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1

(2013) E. G. Geier et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure–activity relationship study of compounds binding to large amino acid transporter 1 (LAT1) based on pharmacophore modeling and in situ rat brain perfusion

(2012) Henna Ylikangas et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Transport of 3-Fluoro-L- -Methyl-Tyrosine by Tumor-Upregulated L-Type Amino Acid Transporter 1: A Cause of the Tumor Uptake in PET

(2012) P. Wiriyasermkul et al.   JOURNAL OF NUCLEAR MEDICINE

Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands

(2012) Lars Richter et al.   Nature Chemical Biology

Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity

(2012) Francesca Oppedisano et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Correlation of L-type amino acid transporter 1 and CD98 expression with triple negative breast cancer prognosis

(2011) Mio Furuya et al.   CANCER SCIENCE

Large Amino Acid Transporter 1 (LAT1) Prodrugs of Valproic Acid: New Prodrug Design Ideas for Central Nervous System Delivery

(2011) Lauri Peura et al.   MOLECULAR PHARMACEUTICS

T-Coffee: a web server for the multiple sequence alignment of protein and RNA sequences using structural information and homology extension

(2011) P. Di Tommaso et al.   NUCLEIC ACIDS RESEARCH

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET

(2011) A. Schlessinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein

(2011) Freya Klepsch et al.   PLoS Computational Biology

Regiospecific and conformationally restrained analogs of melphalan and dl-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood–brain barrier

(2010) Jyothi Matharu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Brain uptake of ketoprofen–lysine prodrug in rats

(2010) Mikko Gynther et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

L-type Amino-acid Transporter 1 Expression Predicts the Response to Preoperative Hyperthermo-chemoradiotherapy for Locally Advanced Rectal Cancer

(2010) T. Ebara et al.   INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Mitochondrial localization of human FAD synthetase isoform 1

(2010) Enza Maria Torchetti et al.   MITOCHONDRION

The High-Affinity Binding Site for Tricyclic Antidepressants Resides in the Outer Vestibule of the Serotonin Transporter

(2010) S. Sarker et al.   MOLECULAR PHARMACOLOGY

Mechanism of substrate recognition and transport by an amino acid antiporter

(2010) Xiang Gao et al.   NATURE

l-Type amino acid transporter 1 inhibitors inhibit tumor cell growth

(2009) Koji Oda et al.   CANCER SCIENCE

Identifying and Characterizing Binding Sites and Assessing Druggability

(2009) Thomas A. Halgren   Journal of Chemical Information and Modeling

LAT1 expression in non-small-cell lung carcinomas: Analyses by semiquantitative reverse transcription-PCR (237 cases) and immunohistochemistry (295 cases)

(2009) Katsuyuki Takeuchi et al.   LUNG CANCER

Structure and Mechanism of an Amino Acid Antiporter

(2009) X. Gao et al.   SCIENCE

Structure and Mechanism of a Na+-Independent Amino Acid Transporter

(2009) P. L. Shaffer et al.   SCIENCE

BCH, an Inhibitor of System L Amino Acid Transporters, Induces Apoptosis in Cancer Cells

(2008) Chun Sung Kim et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

Large Neutral Amino Acid Transporter Enables Brain Drug Delivery via Prodrugs

(2008) Mikko Gynther et al.   JOURNAL OF MEDICINAL CHEMISTRY

L-type amino-acid transporter 1 as a novel biomarker for high-grade malignancy in prostate cancer

(2008) Takeshi Sakata et al.   PATHOLOGY INTERNATIONAL

How well can the accuracy of comparative protein structure models be predicted?

(2008) David Eramian et al.   PROTEIN SCIENCE

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation

QMEAN: A comprehensive scoring function for model quality assessment

(2007) Pascal Benkert et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS