A Holistic Evolutionary and 3D Pharmacophore Modelling Study Provides Insights into the Metabolism, Function, and Substrate Selectivity of the Human Monocarboxylate Transporter 4 (hMCT4).

Papakonstantinou, Eleni; Vlachakis, Dimitrios; Thireou, Trias; Vlachoyiannopoulos, Panayiotis G; Eliopoulos, Elias

Papakonstantinou, Eleni; Vlachakis, Dimitrios; Thireou, Trias; Vlachoyiannopoulos, Panayiotis G; Eliopoulos, Elias.

Affiliation

Papakonstantinou E; Laboratory of Genetics, Department of Biotechnology, School of Applied Biology and Biotechnology, Agricultural University of Athens, 75 Iera Odos, 11855 Athens, Greece.
Vlachakis D; Laboratory of Genetics, Department of Biotechnology, School of Applied Biology and Biotechnology, Agricultural University of Athens, 75 Iera Odos, 11855 Athens, Greece.
Thireou T; University Research Institute of Maternal and Child Health & Precision Medicine, and UNESCO Chair on Adolescent Health Care, National and Kapodistrian University of Athens, Aghia Sophia Children's Hospital, 8 Levadias Street, 11527 Athens, Greece.
Vlachoyiannopoulos PG; Lab of Molecular Endocrinology, Center of Clinical, Experimental Surgery and Translational Research, Biomedical Research Foundation of the Academy of Athens, 11527 Athens, Greece.
Eliopoulos E; Department of Informatics, Faculty of Natural and Mathematical Sciences, King's College London, Strand, London WC2R 2LS, UK.

Int J Mol Sci ; 22(6)2021 Mar 13.

Article in En | MEDLINE | ID: mdl-33805725

Subject(s)

Antineoplastic Agents/chemistry; Monocarboxylic Acid Transporters/chemistry; Muscle Proteins/chemistry; Phloretin/chemistry; Pyrimidinones/chemistry; Quercetin/chemistry; Reserpine/analogs & derivatives; Thiophenes/chemistry; Uracil/analogs & derivatives; Animals; Antineoplastic Agents/metabolism; Binding Sites; Biological Transport; Drug Design; Glycolysis/physiology; Humans; Lactic Acid/chemistry; Lactic Acid/metabolism; Molecular Docking Simulation; Monocarboxylic Acid Transporters/antagonists & inhibitors; Monocarboxylic Acid Transporters/genetics; Monocarboxylic Acid Transporters/metabolism; Muscle Proteins/antagonists & inhibitors; Muscle Proteins/genetics; Muscle Proteins/metabolism; Phloretin/metabolism; Phylogeny; Protein Binding; Protein Conformation, alpha-Helical; Protein Interaction Domains and Motifs; Protein Isoforms/antagonists & inhibitors; Protein Isoforms/chemistry; Protein Isoforms/genetics; Protein Isoforms/metabolism; Pyrimidinones/metabolism; Quercetin/metabolism; Reserpine/chemistry; Reserpine/metabolism; Structural Homology, Protein; Substrate Specificity; Thiophenes/metabolism; Uracil/chemistry; Uracil/metabolism

Key words

3D molecular modelling; cancer metabolism; evolutionary study; monocarboxylate transporter 4; pharmacophore design; transmembrane proteins

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Phloretin / Pyrimidinones / Quercetin / Reserpine / Thiophenes / Uracil / Monocarboxylic Acid Transporters / Muscle Proteins / Antineoplastic Agents Type of study: Prognostic_studies Language: En Journal: Int J Mol Sci Year: 2021 Type: Article Affiliation country: Greece

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