New article about theoretical three-dimensional zinc complexes

  

In collaboration with other colleages, a theoretical three-dimensional study of known zinc ionophores was performed. Aided by a computational energetic study, we proposed that some dietary flavonoids, glutathione and amino acids could form zinc complexes and facilitate the transport of zinc, with the possible biological implications and potential health benefits of these natural compounds. The study is based on obtaining a molecular conformational structure of the zinc complexes with the lowest possible energy content. The discovery of novel substances that act as zinc ionophores is an attractive research topic that offers exciting opportunities in medicinal chemistry. We propose that these novel complexes could be promising candidates for drug design to provide new solutions for conditions and diseases related to zinc deficiency or impairment derived from the dysregulation of this important metal.

Ref.: "Three-Dimensional Zinc Complexes with Glutathione, Amino Acids and Flavonoids" J. M. Pérez de la Lastra , C. Andrés-Juan , F.J. Plou and E. Pérez-Lebeña. Stresses (2021), 1(3), 123-141; doi: 10.3390/stresses1030011

Fatty acid esters as anticancer agents published in IJMS

We have collaborated with the group of Prof. Maciej Guzik at Polish Academy of Sciences in this work on methods of obtaining various fatty acid esters (SFAEs) using combined biological, chemical and enzymatic methods. It presents how modification of SFAE’s hydrophobic chains can influence their cytotoxicity against human skin melanoma and prostate cancer cell lines. The compound’s cytotoxicity was determined by an MTT assay, which followed an assessment of SFAEs’ potential metastatic properties in concentrations below IC50 values. Despite relatively high IC50 values (63.3–1737.6 μM) of the newly synthesized SFAE, they can compete with other sugar esters already described in the literature. The chosen bioactives caused low polymerization of microtubules and the depolymerization of actin filaments in nontoxic levels, which suggest an apoptotic rather than metastatic process. Altogether, cancer cells showed no propensity for metastasis after treating them with SFAE. They confirmed that lactose-based compounds seem the most promising surfactants among tested sugar esters. This manuscript creates a benchmark for creation of novel anticancer agents based on 3-hydroxylated fatty acids of bacterial origin.

Ref.: "In Search of Effective Anticancer Agents—Novel Sugar Esters Based on Polyhydroxyalkanoate Monomers." W. Snoch , D. Wnuk , T. Witko , J. Staroń , A. J. Bojarski , E. Jarek , F. J. Plou and Maciej Guzik.  International Journal of Molecular Sciences , 22, 7238 (2021), doi: 10.3390/ijms22137238

Applied Biocatalysis Group (Picture 2021)