Molecular mechanism of vSGLT inhibition by gneyulin reveals antiseptic properties against multidrug-resistant gram-negative bacteria
| Autor: | Daniel Wiczew, Magdalena Sitarska, Lukasz Jaszewski, Kamil Wozniak, Anna Borowska, Kinga Szkaradek, Tomasz Biegus, Sebastian Kraszewski, Marcelina Pyclik, Lukasz Radosinski, Beata Hanus-Lorenz |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Models
Molecular medicine.drug_class Protein Conformation Quantitative Structure-Activity Relationship Antisepsis Biology 010402 general chemistry Ligands 01 natural sciences Sodium-solute symporter Sodium-Glucose Transport Proteins Catalysis Bacterial cell structure Microbiology Inorganic Chemistry Antibiotic resistance Antiseptic Drug Resistance Multiple Bacterial 0103 physical sciences Gram-Negative Bacteria Stilbenes medicine Humans Physical and Theoretical Chemistry Binding Sites 010304 chemical physics Vibrio parahaemolyticus Organic Chemistry Glucose transporter biology.organism_classification 0104 chemical sciences Computer Science Applications Computational Theory and Mathematics Symporter Bacteria Protein Binding |
| Zdroj: | Journal of molecular modeling. 25(7) |
| ISSN: | 0948-5023 |
| Popis: | Faced with the worldwide spread of multidrug-resistant (MDR) bacterial strains, together with a lack of any appropriate treatment, urgent steps to combat infectious diseases should be taken. Usually, bacterial components are studied to understand, by analogy, the functioning of human proteins. However, molecular data from bacteria gathered over the past decades provide a sound basis for the search for novel approaches in medical care. With this current work, we want to direct attention to inhibition of the vSGLT glucose transporter from Vibrio parahaemolyticus belonging to the sodium solute symporter (SSS) family, to block sugar transport into the bacterial cell and, as a consequence, to limit its growth. Potential bacteriostatic properties can be drawn from commercially available drugs developed for human diseases. This goal can also be reached with natural components from traditional herbal medicine. The presented data from the numerical analysis of 44 known inhibitors of sodium glucose symporters shed light on potential novel approaches in fighting Gram-negative multidrug-resistant microorganisms. Graphical abstract Molecular view on vSGLT channel inhibition by gneyulin B, the compound of natural origin. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink