Rational design of ASCT2 inhibitors using an integrated experimental-computational approach

ASCT2 (SLC1A5) is a sodium-dependent neutral amino acid transporter that controls amino acid homeostasis in peripheral tissues. In cancer, ASCT2 is up-regulated where it modulates intracellular glutamine levels, fueling cell proliferation. Nutrient deprivation via ASCT2 inhibition provides a potenti...

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Veröffentlicht in:	Proceedings of the National Academy of Sciences - PNAS 2021-09, Vol.118 (37), p.1-10
Hauptverfasser:	Garibsingh, Rachel-Ann A., Ndaru, Elias, Garaeva, Alisa A., Shi, Yueyue, Zielewicz, Laura, Zakrepine, Paul, Bonomi, Massimiliano, Slotboom, Dirk J., Paulino, Cristina, Grewer, Christof, Schlessinger, Avner
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Transport System ASC - antagonists & inhibitors Amino Acid Transport System ASC - metabolism Amino acids Binding Sites Binding, Competitive Biochemistry Biochemistry, Molecular Biology Biological Sciences Cancer Cell proliferation Computational Chemistry Computer applications Cryoelectron Microscopy - methods Deprivation Drug Design Drug development Electron microscopy Glutamine Glutamine - metabolism Homeostasis Humans Inhibitors Life Sciences Minor Histocompatibility Antigens - metabolism Molecular Docking Simulation Molecular dynamics Nutrient transport Pharmaceutical Preparations - administration & dosage Pharmaceutical Preparations - chemistry Protein Binding Protein Domains Protein Structure, Tertiary Structure-Activity Relationship
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