Ukr.Biochem.J. 2023; Volume 95, Issue 4, Jul-Aug, pp. 55-63
doi: https://doi.org/10.15407/ubj95.04.055
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.
Keywords: Escherichia coli, methionine aminopeptidase, molecular docking, Staphylococcus aureus, tertiary amide, undecylenic acid
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