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GLUT3 inhibitor discovery through in silico ligand screening and in vivo validation in eukaryotic expression systems.
Iancu, Cristina V; Bocci, Giovanni; Ishtikhar, Mohd; Khamrai, Moumita; Oreb, Mislav; Oprea, Tudor I; Choe, Jun-Yong.
Affiliation
  • Iancu CV; East Carolina Diabetes and Obesity Institute, East Carolina University, Greenville, NC, 27834, USA.
  • Bocci G; Translational Informatics Division, Department of Internal Medicine, The University of New Mexico School of Medicine, Albuquerque, NM, 87131, USA.
  • Ishtikhar M; East Carolina Diabetes and Obesity Institute, East Carolina University, Greenville, NC, 27834, USA.
  • Khamrai M; East Carolina Diabetes and Obesity Institute, East Carolina University, Greenville, NC, 27834, USA.
  • Oreb M; Institute of Molecular Biosciences, Faculty of Biological Sciences, Goethe University Frankfurt, Frankfurt am Main, Germany.
  • Oprea TI; Translational Informatics Division, Department of Internal Medicine, The University of New Mexico School of Medicine, Albuquerque, NM, 87131, USA. toprea@salud.unm.edu.
  • Choe JY; UNM Comprehensive Cancer Center, The University of New Mexico, Albuquerque, NM, 87131, USA. toprea@salud.unm.edu.
Sci Rep ; 12(1): 1429, 2022 01 26.
Article in En | MEDLINE | ID: mdl-35082341
Subject(s)
Drug Discovery; Glucose Transporter Type 3/chemistry; Heterocyclic Compounds, 3-Ring/pharmacology; Saccharomyces cerevisiae Proteins/chemistry; Saccharomyces cerevisiae/drug effects; Small Molecule Libraries/pharmacology; Binding Sites; Biological Transport/drug effects; Cell Line, Tumor; Cell Survival/drug effects; Glucose Transporter Type 1/antagonists & inhibitors; Glucose Transporter Type 1/chemistry; Glucose Transporter Type 1/genetics; Glucose Transporter Type 1/metabolism; Glucose Transporter Type 2/antagonists & inhibitors; Glucose Transporter Type 2/chemistry; Glucose Transporter Type 2/genetics; Glucose Transporter Type 2/metabolism; Glucose Transporter Type 3/antagonists & inhibitors; Glucose Transporter Type 3/genetics; Glucose Transporter Type 3/metabolism; Glucose Transporter Type 4/antagonists & inhibitors; Glucose Transporter Type 4/chemistry; Glucose Transporter Type 4/genetics; Glucose Transporter Type 4/metabolism; Glucose Transporter Type 5/antagonists & inhibitors; Glucose Transporter Type 5/chemistry; Glucose Transporter Type 5/genetics; Glucose Transporter Type 5/metabolism; Heterocyclic Compounds, 3-Ring/chemistry; High-Throughput Screening Assays; Humans; Models, Molecular; Neoplasms/drug therapy; Protein Binding; Protein Conformation, alpha-Helical; Protein Conformation, beta-Strand; Protein Interaction Domains and Motifs; Saccharomyces cerevisiae/genetics; Saccharomyces cerevisiae/metabolism; Saccharomyces cerevisiae Proteins/antagonists & inhibitors; Saccharomyces cerevisiae Proteins/genetics; Saccharomyces cerevisiae Proteins/metabolism; Small Molecule Libraries/chemistry
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Saccharomyces cerevisiae / Saccharomyces cerevisiae Proteins / Glucose Transporter Type 3 / Small Molecule Libraries / Drug Discovery / Heterocyclic Compounds, 3-Ring Type of study: Diagnostic_studies / Risk_factors_studies / Screening_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Saccharomyces cerevisiae / Saccharomyces cerevisiae Proteins / Glucose Transporter Type 3 / Small Molecule Libraries / Drug Discovery / Heterocyclic Compounds, 3-Ring Type of study: Diagnostic_studies / Risk_factors_studies / Screening_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article Affiliation country: Country of publication: