Total Synthesis of Auriculatin and Millexatin F and Discovery of Their Antibacterial Mechanism DOI Creative Commons

Yufei Che,

Qiying Wang, Zhanjun Hou

и другие.

ACS Omega, Год журнала: 2025, Номер 10(16), С. 16265 - 16276

Опубликована: Апрель 15, 2025

The emergence of multidrug-resistant (MDR) bacteria necessitates the urgent development novel antibacterial agents. This study reported first total synthesis two isoflavones, auriculatin (1) and millexatin F (2), derived from tropical medicinal plant Millettia extensa. Through in vitro evaluations, both compounds 1 2 possessed significant activities (MICs = 0.5-4 μg/mL) rapid bactericidal properties against Gram-positive bacteria, along with high safety for mammalian cells. Mechanistic studies revealed that (2) interact bacterial cell membranes, inducing alterations morphology membrane permeability a rise leakage intracellular DNA proteins, thereby leading to death. In addition, our indicated could phosphatidylethanolamine (PE) cardiolipin (CL) cytoplasmic membranes Gram-negative bacteria. Furthermore, showed increased efficacy when combined permeabilizer (polymyxin B nonapeptide), indicating potential broader application. These findings underscore therapeutic promise as lead candidates fight infections.

Язык: Английский

Essential Oils as Antimicrobials against Acinetobacter baumannii: Experimental and Literature Data to Definite Predictive Quantitative Composition–Activity Relationship Models Using Machine Learning Algorithms DOI
Roberta Astolfi, Alessandra Oliva, Antonio Raffo

и другие.

Journal of Chemical Information and Modeling, Год журнала: 2025, Номер unknown

Опубликована: Янв. 22, 2025

Essential oils (EOs) exhibit a broad spectrum of biological activities; however, their clinical application is hindered by challenges, such as variability in chemical composition and chemical/physical instability. A critical limitation the lack consistency across EO samples, which impedes standardization. Despite this, evidence suggests that EOs with differing profiles often display similar (micro)biological activities, raising possibility standardizing based on effects rather than composition. This study explored relationship between antibacterial activity against carbapenem-resistant Acinetobacter baumannii. dataset comprising 82 known minimal inhibitory concentration values was compiled using both experimental results literature data sourced from AI4EssOil database (https://www.ai4essoil.com). Machine learning classification algorithms including Support Vector Machines, Random Forest, Gradient Boosting, Decision Trees, K-Nearest Neighbors were employed to generate quantitative composition–activity models. Model performance assessed internal external prediction accuracy metrics Matthews correlation coefficient primary evaluation metrics. Features importance analysis, Skater methodology, identified key components influencing activity. The single limonene, eucalyptol, alpha-pinene, linalool, beta-caryophyllene, nerol, beta-pinene, neral, carvacrol highlighted efficacy. predictive capacity ML models validated test set freshly extracted chemically characterized EOs. demonstrated 91% for new strong observed predicted features six selected pure compounds (limonene, carvacrol, thymol). Additionally, machine approach extended cytotoxicity 3T3-Swiss fibroblasts 61 analysis revealed potential design high low through blending or selective enrichment components. These findings pave way biologically standardized EOs, enabling rational optimization applications.

Язык: Английский

Процитировано

0
The insecticidal toxicity of thymol and carvacrol to brown planthopper and the novel control strategy based on their disruption of the cuticular hydrophobicity DOI
Peng Lei, Di Lü, Jiale Chen

и другие.

Pesticide Biochemistry and Physiology, Год журнала: 2025, Номер 210, С. 106395 - 106395

Опубликована: Март 30, 2025

Язык: Английский

Процитировано

0
Hybrid structure combining essential oil derivatives and polydopamine for anti-bacterial coatings DOI

Nathan Jourdainne,

Dimitri Mercier, Bruna Costa

и другие.

Colloids and Surfaces B Biointerfaces, Год журнала: 2025, Номер unknown, С. 114679 - 114679

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0
Antibacterial Effects of Bulgarian Oregano and Thyme Essential Oils Alone and in Combination with Antibiotics Against Klebsiella pneumoniae and Pseudomonas aeruginosa DOI Creative Commons
Silvia Mihaylova, Antoаneta Tsvetkova, Sylvia Stamova

и другие.

Microorganisms, Год журнала: 2025, Номер 13(4), С. 843 - 843

Опубликована: Апрель 7, 2025

Antimicrobial resistance (AMR) poses a global health threat, with multidrug-resistant (MDR) Klebsiella pneumoniae and Pseudomonas aeruginosa contributing to the burden, especially in Bulgaria. This study investigates recent trends of these pathogens Bulgaria evaluates antibacterial effects commercially available oregano (Origanum vulgare) thyme (Thymus vulgaris) essential oils (EOs), both alone combination conventional antibiotics. The chemical composition EOs was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing carvacrol (84.2%) as main component EO thymol (45.74%) EO. Minimum inhibitory concentration (MIC) minimum bactericidal (MBC) values were determined serial dilution method. Oregano exhibited lower MIC MBC (0.039–1.250%) compared (0.156–5.000%) against pathogens. disk diffusion assay showed that exhibits more potent than strains. findings highlight potential adjunctive therapies enhance efficacy antibiotics MDR strains

Язык: Английский

Процитировано

0
Total Synthesis of Auriculatin and Millexatin F and Discovery of Their Antibacterial Mechanism DOI Creative Commons

Yufei Che,

Qiying Wang, Zhanjun Hou

и другие.

ACS Omega, Год журнала: 2025, Номер 10(16), С. 16265 - 16276

Опубликована: Апрель 15, 2025

The emergence of multidrug-resistant (MDR) bacteria necessitates the urgent development novel antibacterial agents. This study reported first total synthesis two isoflavones, auriculatin (1) and millexatin F (2), derived from tropical medicinal plant Millettia extensa. Through in vitro evaluations, both compounds 1 2 possessed significant activities (MICs = 0.5-4 μg/mL) rapid bactericidal properties against Gram-positive bacteria, along with high safety for mammalian cells. Mechanistic studies revealed that (2) interact bacterial cell membranes, inducing alterations morphology membrane permeability a rise leakage intracellular DNA proteins, thereby leading to death. In addition, our indicated could phosphatidylethanolamine (PE) cardiolipin (CL) cytoplasmic membranes Gram-negative bacteria. Furthermore, showed increased efficacy when combined permeabilizer (polymyxin B nonapeptide), indicating potential broader application. These findings underscore therapeutic promise as lead candidates fight infections.

Язык: Английский

Процитировано

0