Y. D. Startseva, D. M. Hodyna, I. V. Semenyuta, O. P. Tarasyuk, S. P. Rogalsky, L. O. Metelytsia
{"title":"十一烯酸和N,N-二丁基十一烯酰胺作为抗抗生素耐药菌株的有效抗生素","authors":"Y. D. Startseva, D. M. Hodyna, I. V. Semenyuta, O. P. Tarasyuk, S. P. Rogalsky, L. O. Metelytsia","doi":"10.15407/ubj95.04.055","DOIUrl":null,"url":null,"abstract":"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","PeriodicalId":23448,"journal":{"name":"Ukrainian Biochemical Journal","volume":"25 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Undecylenic acid and N,N-dibutylundecenamide as effective antibacterials against antibiotic-resistant strains\",\"authors\":\"Y. D. Startseva, D. M. Hodyna, I. V. Semenyuta, O. P. Tarasyuk, S. P. Rogalsky, L. O. Metelytsia\",\"doi\":\"10.15407/ubj95.04.055\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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\",\"PeriodicalId\":23448,\"journal\":{\"name\":\"Ukrainian Biochemical Journal\",\"volume\":\"25 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-09-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Ukrainian Biochemical Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.15407/ubj95.04.055\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"Biochemistry, Genetics and Molecular Biology\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ukrainian Biochemical Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.15407/ubj95.04.055","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"Biochemistry, Genetics and Molecular Biology","Score":null,"Total":0}
Undecylenic acid and N,N-dibutylundecenamide as effective antibacterials against antibiotic-resistant strains
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
期刊介绍:
The Ukrainian Biochemical Journal publishes original research papers, reviews and brief notes; papers on research methods and techniques; articles on the history of biochemistry, its development and prominent figures; discussion articles; book reviews; chronicles; etc. The journal scope includes not only biochemistry but also related sciences, such as cellular and molecular biology, bioorganic chemistry, biophysics, pharmacology, genetics, and medicine (medical biochemistry et al.) – insofar as the studies use biochemical methods and discuss biochemical findings.