Artemisia dracunculus/(tarragon) is a perennial plant used in traditional medicine and the food industry. The plant is known to have beneficial effects on health, such as antibacterial, antifungal, antiseptic, carminative, anti-inflammatory, antipyretic, anthelmintic, etc. In this study, the compounds present in the highest concentrations in the essential oils obtained by different extraction methods from tarragon found on the Romanian market were identified by gas chromatography–mass spectrometry. The biological activity of these compounds was predicted using the computational tools ADMETlab3.0, admetSAR3.0, CLC-Pred2.0, and AntiBac-Pred. Also, the main molecular target of these compounds was predicted and the interactions with this protein were evaluated using molecular docking. The compounds identified in high concentrations in the obtained essential oils are estragole, cis-β-ocimene, trans-β-ocimene, limonene, eugenol methyl ether, eugenol acetate, eugenol, caryophyllene oxide, and α-pinene. The absorption, distribution, metabolism, excretion, and toxicity profiles of these compounds show that they are generally safe, but some of them can cause skin sensitization and respiratory toxicity and are potential inhibitors of the organic anion transporters OATP1 and OATP2. Several of these compounds exert antibacterial activity against some species of Staphylococcus, Streptococcus, and Prevotella. All compounds reveal potential cytotoxicity for several types of cancer cells. These findings may guide further experimental studies to identify medical and pharmacological applications of tarragon extracts or specific compounds that can be isolated from these extracts.

Triazole fungicides are widely used in agriculture but may pose risks to human health through occupational, accidental, or environmental exposure. This systematic review aimed to evaluate the toxicity of ten European Union-approved triazole fungicides in rodent models and cell lines. A total of 70 studies were included, reporting quantitative in vivo oral, dermal, or inhalation toxicity in mammals or quantitative in vitro cytotoxicity in human or mammalian cell lines; the exclusion criteria comprised publications not in English or not accessible. Literature searches were conducted in Web of Science, Google Scholar, and the Pesticide Properties DataBase (PPDB), and risk of bias in included studies was assessed using ToxRTool. Due to heterogeneity in study designs, reporting formats, and endpoints, data were synthesized descriptively. Quantitative endpoints included LD₅₀/LC₅₀ values for in vivo studies and LOEC, IC₅₀, LC₅₀, and EC₅₀ values for in vitro studies, while mechanistic endpoints highlighted apoptosis, oxidative stress, genotoxicity, and endoplasmic reticulum stress. Difenoconazole and tebuconazole were the most extensively studied compounds, whereas several triazoles had limited data. The limitations included heterogeneity of data and incomplete reporting, which restrict cross-study comparisons. Overall, the findings provide a comprehensive overview of potential human health hazards associated with EU-approved triazole fungicides and highlight critical knowledge gaps. The review was registered in Open Science Framework.

Tarragon extracts, especially from Artemisia dracunculus, have shown their potential as natural pesticides and can harm aquatic ecosystems. In addition, waste from tarragon essential oil production can also contribute to aquatic pollution if not properly managed. In this study, a hydrodistillate and a commercial tarragon essential oil were considered to evaluate their effects on aquatic ecosystems. A growth inhibition test was performed using Lemna minor to evaluate the potential ecotoxicity of tarragon extracts, and a biochemical test was performed to investigate the potential effects of the lowest volume of oil, which did not cause any visible impact on this organism. The results showed that the hydrodistillate did not show toxic effects on L. minor, but the essential oil demonstrated potential ecotoxicity, with volumes of 0.5 µL and above leading to percentage reductions in frond numbers of 50% and higher. The biochemical assay revealed no significant differences between the negative control and the lowest volume of oil tested, suggesting the absence of biochemical effects at low exposure levels. The effects of compounds identified at higher concentrations in the tarragon extracts on other aquatic organisms were predicted using the admetSAR3.0 tool, and potential toxicity against numerous aquatic organisms was emphasized, particularly for cis-beta-ocimene, trans-beta-ocimene, and caryophyllene oxide. These findings emphasize the need for careful consideration of both the application dose and disposal practices of tarragon-based products.

Tarragon (Artemisia dracunculus) essential oil contains bioactive phytochemicals that may interact with hepatic transporters involved in drug disposition. This study used molecular docking and interaction analysis to evaluate the binding potential of compounds identified in tarragon essential oil samples from the Romanian market toward organic anion transporters OATP1B1 and OATP1B3, using multiple cryo-EM structures representing distinct conformational states. All investigated compounds were predicted to bind within the cavities of OATP1B1 and OATP1B3, exhibiting moderate predicted binding scores ranging from –3.956 to –6.583 kcal/mol, whereas the reference ligands resolved in the experimental structures showed binding scores ranging from –7.152 to –11.212 kcal/mol. Eugenol and its oxygenated derivatives exhibited relatively higher scores, likely due to their ability to form both hydrophobic and hydrogen-bonding interactions, whereas monoterpene hydrocarbons relied mainly on hydrophobic contacts. Interaction profiling predicted for both transporters binding environments dominated by aromatic and hydrophobic residues, alongside key polar residues contributing to hydrogen bonding. Binding patterns varied across OATP1B1 conformations, indicating state-dependent ligand recognition. Overall, the results suggest that tarragon essential oil constituents may interact with OATP1B1 and OATP1B3. Experimental studies are required to confirm the functional and clinical relevance of these findings.

Difenoconazole is a triazole fungicide used to ensure sustainable agricultural, although it may also affect the aquatic environment. This study assessed the effects of this fungicide by both an experimental and a computational approach. The experimental assessment involved the acute exposure of Lemna minor to different concentrations of difenoconazole and the determination of main endpoints such as number of fronds and colony, as well as secondary endpoints represented by gravimetric, morphometrical and biochemical parameters. The in silico analysis consisted of the testing of difenoconazole and 14 of its transformation residues (TRs), using three computational tools (admetSAR, ADMETlab and T.E.S.T.) to assess either their toxicological endpoints (EC₅₀, IGC₅₀) or their probability of affecting a range of model aquatic organisms. The results highlighted a concentration-dependent effect of difenoconazole on both main and secondary endpoints. The calculated EC₅₀ value was 2.47 mg/L (data validated by EC₅₀ on Lemna gibba from Pesticides Properties DataBase), which categorizes difenoconazole as moderately toxic in the aquatic environment. The in silico assessment showed that two of the TRs showed lower toxicity, with these having only one aromatic ring compared to the others analyzed.