ArticleACS omega2019
Insights into Substrate and Inhibitor Selectivity among Human GLUT Transporters through Comparative Modeling and Molecular Docking.
Article in ACS omega, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 12 citations in OpenAlex.
- Progress of research on glucose transporter proteins in hepatocellular carcinoma.World journal of hepatology · 2025Review
- Therapeutic effect and mechanism of gigantol on hyperuricemia.Frontiers in endocrinology · 2025Article
- Dual inhibitory potential of ganoderic acid A on GLUT1/3: computational andRSC advances · 2024Article
- The in-silico evaluation of important GLUT9 residue for uric acid transport based on renal hypouricemia type 2.Chemico-biological interactions · 2023Article
- Integrative transcriptome analysis of SARS-CoV-2 human-infected cells combined with deep learning algorithms identifies two potential cellular targets for the treatment of coronavirus disease.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2023Article
- Identification of Structural Determinants of the Transport of the Dehydroascorbic Acid Mediated by Glucose Transport GLUT1.Molecules (Basel, Switzerland) · 2023Article
- Towards Selective Binding to the GLUT5 Transporter: Synthesis, Molecular Dynamics and In Vitro Evaluation of Novel C-3-Modified 2,5-Anhydro-D-mannitol Analogs.Pharmaceutics · 2022Article
- Therapeutic effects and mechanisms of N-(9,10-anthraquinone-2-ylcarbonyl) xanthine oxidase inhibitors on hyperuricemia.Frontiers in pharmacology · 2022Article
- Phenolics-Rich Extracts of Dietary Plants as Regulators of Fructose Uptake in Caco-2 Cells via GLUT5 Involvement.Molecules (Basel, Switzerland) · 2021Article
- Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The solute carrier 2 family is composed of 14 transporters, which are members of the major facilitator superfamily. Despite their high physiological importance, there are still many open questions concerning their function and specificity, and in some cases, their physiological substrate is still unknown. To understand the determinants of the substrate and inhibitor specificity, we modeled all human glucose transport carriers (GLUTs) and simulated their interaction with known ligands. Comparative modeling was performed with the @TOME-2 pipeline, employing multiple templates and providing an ensemble of models for each GLUT. We analyzed models in both outward-occluded and inward-open conformations, to compare exofacial and endofacial binding sites throughout the family and understand differences in susceptibility of GLUTs to the inhibitor cytochalasin B. Finally, we employed molecular docking and bioinformatics to identify residues likely critical for recognition of myo-inositol by GLUT13 and urate by GLUT9. These results provide insights into the molecular basis for the specificity for these substrates. In addition, we suggested a potential recognition site of glucosamine by GLUT11 to be evaluated in future experiments.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.