TY - JOUR TI - Molecular mechanism of vSGLT inhibition by gneyulin reveals antiseptic properties against multidrug-resistant gram-negative bacteria AU - Wiczew, Daniel AU - Borowska, Anna AU - Szkaradek, Kinga AU - Biegus, Tomasz AU - Wozniak, Kamil AU - Pyclik, Marcelina AU - Sitarska, Magdalena AU - Jaszewski, Lukasz AU - Radosinski, Lukasz AU - Hanus-Lorenz, Beata AU - Kraszewski, Sebastian T2 - Journal of Molecular Modeling AB - 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. DA - 2019/06/11/ PY - 2019 DO - 10.1007/s00894-019-4073-9 DP - Springer Link VL - 25 IS - 7 SP - 186 J2 - J Mol Model LA - en SN - 0948-5023 UR - https://doi.org/10.1007/s00894-019-4073-9 Y2 - 2020/06/07/09:35:02 ER -