Tag Archives: Escherichia coli

Undecylenic acid and N,N-dibutylundecenamide as effective antibacterials against antibiotic-resistant strains

Y. D. Startseva*, D. M. Hodyna, I. V. Semenyuta,
O. P. Tarasyuk, S. P. Rogalsky, L. O. Metelytsia

V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry,
National Academy of Sciences of Ukraine, Kyiv;
*e-mail: startseva1991@gmail.com

Received: 25 April 2023; Revised: 03 July 2023;
Accepted: 7 September 2023; Available on-line: 12 September 2023

Evaluation of undecylenic acid (UA) and its tertiary amide N,N-dibutylundecenamide (DBUA) activity­ in vitro against the standard and antibiotic-resistant Escherichia coli and Staphylococcus aureus strains was carried out. The antibacterial potential of the acid and its amide at 2.5 and 5.0 μM concentration both against gram-positive bacteria (S. aureus) and gram-negative (E. coli) cultures was confirmed by monitoring the diameter of the bacterial growth inhibition zones. The docking study identified methionine aminopeptidase (MAP) as the most energy-favorable potential biotarget associated with the drug resistance of E. coli and S. aureus with a binding energy in the range from -8.0 to -8.5 kcal/mol. The ligands complexation was due to the formation of hydrogen bonds with ASP108, HIS171, HIS178, GLU204, GLU235, HIS76, ASP104, GLU233, ASP93 and metal-acceptor interactions with Co2+. Overall, the results indicated that UA and DBUA activity against antibiotic-resistant strains creates prospects for the development of new antibacterial formulations.

The effect of chlorination of nucleotide bases on the conformational properties of thymidine monophosphate

T. M. Mukhina, T. Yu. Nikolaienko

Taras Shevchenko National University of Kyiv, Ukraine;
e-mail: MukhinaTanyaM@gmail.com; tim_mail@ukr.net

Recent studies on Escherichia coli bacteria cultivation, in which DNA thymine was replaced with 5-chlorouracil have refreshed the problem of understanding the changes to physical properties of DNA monomers resultant from chemical modifications. These studies have shown that the replacement did not affect the normal activities and division of the bacteria, but has significantly reduced its life span. In this paper a comparative analysis was carried out by the methods of computational experiment of a set of 687 possible conformers of natural monomeric DNA unit (2′-deoxyribonucleotide thymidine monophosphate) and 660 conformers of 5-chloro-2′-deoxyuridine monophosphate – a similar molecules in which the natural nitrogenous base thymine is substituted with 5-chlorouracil. Structures of stable conformers of the modified deoxyribonucleotide have been obtained and physical factors, which determine their variation from the conformers of the unmodified molecule have been analyzed. A comparative analysis of the elastic properties of conformers­ of investigated molecules and non-covalent interactions present in them was conducted. The results can be used for planning experiments on synthesis of artificial DNA suitable for incorporation into living organisms.