*Result*: Multivariate Characterization of Essential Oils for Their Antibacterial Activity Against Escherichia coli: A Data-Driven Interpretation of Experimental Results.
Title:
Multivariate Characterization of Essential Oils for Their Antibacterial Activity Against Escherichia coli: A Data-Driven Interpretation of Experimental Results.
Authors:
Kokalj Ladan M; Faculty of Pharmacy, University of Ljubljana, Aškerčeva 7, 1000 Ljubljana, Slovenia., Supé Vide M; Faculty of Pharmacy, University of Ljubljana, Aškerčeva 7, 1000 Ljubljana, Slovenia., Schoss K; Faculty of Pharmacy, University of Ljubljana, Aškerčeva 7, 1000 Ljubljana, Slovenia.
Source:
Molecules (Basel, Switzerland) [Molecules] 2026 Jan 07; Vol. 31 (2). Date of Electronic Publication: 2026 Jan 07.
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Imprint Name(s):
Original Publication: Basel, Switzerland : MDPI, c1995-
MeSH Terms:
Oils, Volatile*/pharmacology , Oils, Volatile*/chemistry , Anti-Bacterial Agents*/pharmacology , Anti-Bacterial Agents*/chemistry , Escherichia coli*/drug effects, Thymus Plant/chemistry ; Microbial Sensitivity Tests ; Gas Chromatography-Mass Spectrometry ; Principal Component Analysis ; Multivariate Analysis ; Least-Squares Analysis
References:
J Infect Dis. 2017 Feb 15;215(suppl_1):S28-S36. (PMID: 28375512)
Molecules. 2021 Nov 05;26(21):. (PMID: 34771106)
Nat Prod Res. 2020 Mar;34(5):745-749. (PMID: 30421964)
Sci Rep. 2021 Jun 23;11(1):13178. (PMID: 34162964)
Curr Med Mycol. 2022 Mar;8(1):12-19. (PMID: 36340432)
Pharmaceuticals (Basel). 2023 Dec 29;17(1):. (PMID: 38256897)
Antimicrob Agents Chemother. 2005 Jun;49(6):2474-8. (PMID: 15917549)
Pharmaceuticals (Basel). 2013 Nov 25;6(12):1451-74. (PMID: 24287491)
Gels. 2024 Apr 30;10(5):. (PMID: 38786220)
Nat Prod Res. 2026 Jan;40(1):122-129. (PMID: 39135438)
Foods. 2023 Dec 21;13(1):. (PMID: 38201061)
J Nat Prod. 2020 Mar 27;83(3):770-803. (PMID: 32162523)
Int J Mol Sci. 2023 Apr 08;24(8):. (PMID: 37108100)
Biomed Pharmacother. 2024 Sep;178:117120. (PMID: 39024836)
Molecules. 2023 Nov 21;28(23):. (PMID: 38067422)
Am J Infect Control. 2022 Jan;50(1):32-38. (PMID: 34562526)
BMC Complement Altern Med. 2016 Nov 8;16(1):444. (PMID: 27825341)
BMC Complement Med Ther. 2024 Apr 12;24(1):157. (PMID: 38609946)
Toxins (Basel). 2019 Nov 11;11(11):. (PMID: 31717922)
Phytother Res. 2012 Jan;26(1):73-7. (PMID: 21544884)
Mutat Res. 2002 Jan 15;513(1-2):61-8. (PMID: 11719090)
Nat Prod Res. 2021 Aug;35(15):2593-2597. (PMID: 31679416)
Anal Chem. 2006 Feb 1;78(3):883-90. (PMID: 16448064)
J Integr Med. 2023 Mar;21(2):205-214. (PMID: 36792414)
Nutrients. 2022 May 18;14(10):. (PMID: 35631245)
Front Microbiol. 2012 Jan 25;3:12. (PMID: 22291693)
Fitoterapia. 2021 Oct;154:105024. (PMID: 34455037)
Nat Rev Microbiol. 2004 Feb;2(2):123-40. (PMID: 15040260)
J Appl Microbiol. 2001 Sep;91(3):453-62. (PMID: 11556910)
Appl Environ Microbiol. 2012 Jun;78(11):4057-61. (PMID: 22467497)
Molecules. 2024 Oct 02;29(19):. (PMID: 39407610)
J Med Life. 2014;7 Spec No. 3:56-60. (PMID: 25870697)
Heliyon. 2023 Nov 30;10(1):e22437. (PMID: 38163240)
Molecules. 2021 Mar 29;26(7):. (PMID: 33805452)
Front Immunol. 2020 Jun 03;11:1048. (PMID: 32582169)
J Ethnopharmacol. 2021 Oct 5;278:114205. (PMID: 34000364)
Antibiotics (Basel). 2020 Dec 30;10(1):. (PMID: 33396612)
Molecules. 2024 Aug 26;29(17):. (PMID: 39274883)
Molecules. 2019 Jun 05;24(11):. (PMID: 31195752)
J Med Entomol. 2022 Jan 12;59(1):291-300. (PMID: 34516625)
Pharmaceuticals (Basel). 2023 Dec 19;17(1):. (PMID: 38275987)
Biotechnol Appl Biochem. 2025 Feb;72(1):225-236. (PMID: 39164803)
J Agric Food Chem. 2016 Jun 8;64(22):4566-73. (PMID: 27219519)
Plants (Basel). 2024 May 15;13(10):. (PMID: 38794445)
Infect Genet Evol. 2021 Nov;95:105055. (PMID: 34461310)
Phytochemistry. 2018 May;149:64-81. (PMID: 29477626)
Compr Rev Food Sci Food Saf. 2021 Jul;20(4):3136-3163. (PMID: 34125485)
Crit Rev Microbiol. 2017 Nov;43(6):668-689. (PMID: 28346030)
Pharmaceuticals (Basel). 2024 May 08;17(5):. (PMID: 38794169)
Phytother Res. 2014 Jan;28(1):42-8. (PMID: 23447129)
Exp Appl Acarol. 2021 Apr;83(4):597-608. (PMID: 33625626)
Int J Mol Sci. 2023 Mar 08;24(6):. (PMID: 36982252)
J Food Sci. 2012 Jan;77(1):H40-6. (PMID: 22260108)
J Infect Public Health. 2017 Jul - Aug;10(4):369-378. (PMID: 27616769)
Molecules. 2021 Oct 22;26(21):. (PMID: 34770801)
Nat Rev Microbiol. 2010 Jan;8(1):26-38. (PMID: 19966814)
J Ethnopharmacol. 2022 Aug 10;294:115362. (PMID: 35551977)
Nat Rev Drug Discov. 2015 Feb;14(2):111-29. (PMID: 25614221)
Medicines (Basel). 2020 Sep 23;7(10):. (PMID: 32977373)
J Appl Microbiol. 1999 Jun;86(6):985-90. (PMID: 10438227)
Foods. 2022 Feb 04;11(3):. (PMID: 35159614)
J Pharm Pharmacol. 2014 Oct;66(10):1491-6. (PMID: 24934659)
Plants (Basel). 2022 Feb 17;11(4):. (PMID: 35214872)
Nat Med. 2023 Jul;29(7):1583-1586. (PMID: 37464030)
Evid Based Complement Alternat Med. 2015;2015:896314. (PMID: 26294929)
P T. 2015 Apr;40(4):277-83. (PMID: 25859123)
Phytochemistry. 2017 Dec;144:208-215. (PMID: 28968531)
Chin J Nat Med. 2024 Sep;22(9):785-796. (PMID: 39326973)
Phytother Res. 2004 Sep;18(9):713-7. (PMID: 15478207)
Appl Environ Microbiol. 2002 Apr;68(4):1561-8. (PMID: 11916669)
Bot Stud. 2015 Dec;56(1):16. (PMID: 28510825)
EXCLI J. 2016 Apr 19;15:280-9. (PMID: 27330531)
Phytother Res. 2018 Sep;32(9):1688-1706. (PMID: 29785774)
Molecules. 2009 Apr 02;14(4):1438-47. (PMID: 19384275)
Food Chem Toxicol. 2008 Feb;46(2):446-75. (PMID: 17996351)
Planta Med. 2020 May;86(8):520-537. (PMID: 32325511)
Microorganisms. 2020 Jun 18;8(6):. (PMID: 32570954)
Plant Biol (Stuttg). 2008 Jul;10(4):433-40. (PMID: 18557903)
Int J Food Microbiol. 2004 Aug 1;94(3):223-53. (PMID: 15246235)
Front Microbiol. 2022 Aug 09;13:970670. (PMID: 36016775)
Molecules. 2022 Sep 05;27(17):. (PMID: 36080486)
Medicines (Basel). 2015 Sep 08;2(3):251-286. (PMID: 28930211)
Molecules. 2021 Nov 05;26(21):. (PMID: 34771106)
Nat Prod Res. 2020 Mar;34(5):745-749. (PMID: 30421964)
Sci Rep. 2021 Jun 23;11(1):13178. (PMID: 34162964)
Curr Med Mycol. 2022 Mar;8(1):12-19. (PMID: 36340432)
Pharmaceuticals (Basel). 2023 Dec 29;17(1):. (PMID: 38256897)
Antimicrob Agents Chemother. 2005 Jun;49(6):2474-8. (PMID: 15917549)
Pharmaceuticals (Basel). 2013 Nov 25;6(12):1451-74. (PMID: 24287491)
Gels. 2024 Apr 30;10(5):. (PMID: 38786220)
Nat Prod Res. 2026 Jan;40(1):122-129. (PMID: 39135438)
Foods. 2023 Dec 21;13(1):. (PMID: 38201061)
J Nat Prod. 2020 Mar 27;83(3):770-803. (PMID: 32162523)
Int J Mol Sci. 2023 Apr 08;24(8):. (PMID: 37108100)
Biomed Pharmacother. 2024 Sep;178:117120. (PMID: 39024836)
Molecules. 2023 Nov 21;28(23):. (PMID: 38067422)
Am J Infect Control. 2022 Jan;50(1):32-38. (PMID: 34562526)
BMC Complement Altern Med. 2016 Nov 8;16(1):444. (PMID: 27825341)
BMC Complement Med Ther. 2024 Apr 12;24(1):157. (PMID: 38609946)
Toxins (Basel). 2019 Nov 11;11(11):. (PMID: 31717922)
Phytother Res. 2012 Jan;26(1):73-7. (PMID: 21544884)
Mutat Res. 2002 Jan 15;513(1-2):61-8. (PMID: 11719090)
Nat Prod Res. 2021 Aug;35(15):2593-2597. (PMID: 31679416)
Anal Chem. 2006 Feb 1;78(3):883-90. (PMID: 16448064)
J Integr Med. 2023 Mar;21(2):205-214. (PMID: 36792414)
Nutrients. 2022 May 18;14(10):. (PMID: 35631245)
Front Microbiol. 2012 Jan 25;3:12. (PMID: 22291693)
Fitoterapia. 2021 Oct;154:105024. (PMID: 34455037)
Nat Rev Microbiol. 2004 Feb;2(2):123-40. (PMID: 15040260)
J Appl Microbiol. 2001 Sep;91(3):453-62. (PMID: 11556910)
Appl Environ Microbiol. 2012 Jun;78(11):4057-61. (PMID: 22467497)
Molecules. 2024 Oct 02;29(19):. (PMID: 39407610)
J Med Life. 2014;7 Spec No. 3:56-60. (PMID: 25870697)
Heliyon. 2023 Nov 30;10(1):e22437. (PMID: 38163240)
Molecules. 2021 Mar 29;26(7):. (PMID: 33805452)
Front Immunol. 2020 Jun 03;11:1048. (PMID: 32582169)
J Ethnopharmacol. 2021 Oct 5;278:114205. (PMID: 34000364)
Antibiotics (Basel). 2020 Dec 30;10(1):. (PMID: 33396612)
Molecules. 2024 Aug 26;29(17):. (PMID: 39274883)
Molecules. 2019 Jun 05;24(11):. (PMID: 31195752)
J Med Entomol. 2022 Jan 12;59(1):291-300. (PMID: 34516625)
Pharmaceuticals (Basel). 2023 Dec 19;17(1):. (PMID: 38275987)
Biotechnol Appl Biochem. 2025 Feb;72(1):225-236. (PMID: 39164803)
J Agric Food Chem. 2016 Jun 8;64(22):4566-73. (PMID: 27219519)
Plants (Basel). 2024 May 15;13(10):. (PMID: 38794445)
Infect Genet Evol. 2021 Nov;95:105055. (PMID: 34461310)
Phytochemistry. 2018 May;149:64-81. (PMID: 29477626)
Compr Rev Food Sci Food Saf. 2021 Jul;20(4):3136-3163. (PMID: 34125485)
Crit Rev Microbiol. 2017 Nov;43(6):668-689. (PMID: 28346030)
Pharmaceuticals (Basel). 2024 May 08;17(5):. (PMID: 38794169)
Phytother Res. 2014 Jan;28(1):42-8. (PMID: 23447129)
Exp Appl Acarol. 2021 Apr;83(4):597-608. (PMID: 33625626)
Int J Mol Sci. 2023 Mar 08;24(6):. (PMID: 36982252)
J Food Sci. 2012 Jan;77(1):H40-6. (PMID: 22260108)
J Infect Public Health. 2017 Jul - Aug;10(4):369-378. (PMID: 27616769)
Molecules. 2021 Oct 22;26(21):. (PMID: 34770801)
Nat Rev Microbiol. 2010 Jan;8(1):26-38. (PMID: 19966814)
J Ethnopharmacol. 2022 Aug 10;294:115362. (PMID: 35551977)
Nat Rev Drug Discov. 2015 Feb;14(2):111-29. (PMID: 25614221)
Medicines (Basel). 2020 Sep 23;7(10):. (PMID: 32977373)
J Appl Microbiol. 1999 Jun;86(6):985-90. (PMID: 10438227)
Foods. 2022 Feb 04;11(3):. (PMID: 35159614)
J Pharm Pharmacol. 2014 Oct;66(10):1491-6. (PMID: 24934659)
Plants (Basel). 2022 Feb 17;11(4):. (PMID: 35214872)
Nat Med. 2023 Jul;29(7):1583-1586. (PMID: 37464030)
Evid Based Complement Alternat Med. 2015;2015:896314. (PMID: 26294929)
P T. 2015 Apr;40(4):277-83. (PMID: 25859123)
Phytochemistry. 2017 Dec;144:208-215. (PMID: 28968531)
Chin J Nat Med. 2024 Sep;22(9):785-796. (PMID: 39326973)
Phytother Res. 2004 Sep;18(9):713-7. (PMID: 15478207)
Appl Environ Microbiol. 2002 Apr;68(4):1561-8. (PMID: 11916669)
Bot Stud. 2015 Dec;56(1):16. (PMID: 28510825)
EXCLI J. 2016 Apr 19;15:280-9. (PMID: 27330531)
Phytother Res. 2018 Sep;32(9):1688-1706. (PMID: 29785774)
Molecules. 2009 Apr 02;14(4):1438-47. (PMID: 19384275)
Food Chem Toxicol. 2008 Feb;46(2):446-75. (PMID: 17996351)
Planta Med. 2020 May;86(8):520-537. (PMID: 32325511)
Microorganisms. 2020 Jun 18;8(6):. (PMID: 32570954)
Plant Biol (Stuttg). 2008 Jul;10(4):433-40. (PMID: 18557903)
Int J Food Microbiol. 2004 Aug 1;94(3):223-53. (PMID: 15246235)
Front Microbiol. 2022 Aug 09;13:970670. (PMID: 36016775)
Molecules. 2022 Sep 05;27(17):. (PMID: 36080486)
Medicines (Basel). 2015 Sep 08;2(3):251-286. (PMID: 28930211)
Grant Information:
P1-0208 The Slovenian Research and Innovation Agency
Contributed Indexing:
Keywords: Escherichia coli; GC–MS analysis; antimicrobial activity; bioactive compounds; essential oils; multivariate analysis
Substance Nomenclature:
0 (Oils, Volatile)
0 (Anti-Bacterial Agents)
0 (Anti-Bacterial Agents)
Entry Date(s):
Date Created: 20260128 Date Completed: 20260128 Latest Revision: 20260131
Update Code:
20260131
PubMed Central ID:
PMC12844431
DOI:
10.3390/molecules31020207
PMID:
41599258
Database:
MEDLINE
*Further Information*
*The growing problem of antimicrobial resistance emphasizes the urgent need for new and effective natural antimicrobial agents. This study assessed the antibacterial activity of twenty essential oils and one absolute against Escherichia coli and examined the relationship between their chemical composition and biological activity. The chemical profiles of the samples were determined using gas chromatography-mass spectrometry (GC-MS), and the resulting data were analysed using principal component analysis (PCA), discriminant analysis (DA), and partial least squares (PLS) methods to explore associations between composition and antibacterial activity. The results showed substantial variability among the tested essential oils, with those from Thymus vulgaris, Aniba rosaeodora, Syzygium aromaticum, Pimenta dioica, and the absolute of Evernia prunastri exhibiting the strongest activity. GC-MS analysis identified thymol, eugenol, and methyl atrarate as key bioactive constituents associated with strong antibacterial effects, while linalool, limonene, and α-terpineol were linked to moderate activity. Multivariate analyses provided further insight but were limited by data variability, highlighting compositional diversity rather than clear group separation. Overall, the findings demonstrate that essential oils are a promising source of natural antimicrobial agents and emphasise the importance of linking chemical composition with biological function to understand their potential therapeutic applications.*