Effects of cadmium stress on phenolic composition and biological activities of rosemary (Salvia rosmarinus Spenn., syn. Rosmarinus officinalis L.): LC-HRMS and in-silico insights
10 affiliations
- 1Department of Herbal and Animal Production, Vocational School of Technical Sciences, Igdir University, Igdir, Türkiye
- 2Department of Horticulture, Kilis 7 Aralik University, Kilis, Türkiye
- 3Department of Medical Microbiology, Faculty of Dentistry, Iğdır University, Iğdır, Türkiye
- 4Department of Chemistry, Faculty of Science, Ondokuz Mayıs University, Samsun, Türkiye
- 5Department of Horticulture, Faculty of Agriculture, Iğdır University, Suveren, 76000 Turkey
- 6Department of Horticulture and Agronomy, Faculty of Agriculture, Kyrgyz-Turkish Manas University, Chyngyz Aitmatov Campus (Djal), Bishkek, 720038 Kyrgyzstan
- 7Science and Technology Application and Research Center, Siirt University, Siirt, Türkiye
- 8Department of Agricultural Sciences, Graduate Education Institute, Iğdır University, Iğdır, 76100 Türkiye
- 9Faculty of Medicine, Nakhchivan State University, Nakhchivan, Azerbaijan
- 10Scientific Research Projects Coordination Unit, Igdir University, Iğdır, Türkiye
Abstract
Cadmium (Cd) contamination is a major environmental stressor that adversely affects plant physiology, yet it may also stimulate the production of valuable secondary metabolites; therefore, this study aimed to evaluate the impact of Cd stress on phenolic composition and biological activities of rosemary (Rosmarinus officinalis L.) Plants were exposed to Cd levels (0-100 mg kg⁻¹), and extracts were analyzed using LC-HRMS for phenolic profiling, alongside antioxidant (ABTS˙⁺, DPPH˙, FRAP), antibacterial, and antibiofilm assays, complemented by molecular docking, and molecular dynamics simulations. The results revealed dose-dependent modulation of phenolic compounds, with rosmarinic acid as the predominant metabolite (peak relative intensity 23.283 at 20 mg kg⁻¹ Cd versus 22.679 in the control), while flavonoids such as luteolin, isorhamnetin, and diosmetin accumulated under specific Cd treatments. Antioxidant capacity showed assay-dependent variation, with ABTS˙⁺ activity increasing significantly at moderate Cd levels, whereas DPPH˙ and FRAP remained unchanged. Cd-treated extracts exhibited strain-specific antibacterial effects (minimum inhibitory concentration, MIC 256–2048 µg mL⁻¹), particularly against Pseudomonas aeruginosa and Staphylococcus aureus, and the highest antibiofilm activity was observed at the highest Cd concentration (mean inhibition 50.5% at 100 mg kg⁻¹ Cd, reaching 56.1% at 512 µg mL⁻¹). The flavonoids luteolin, diosmetin, and isorhamnetin, together with rosmarinic acid, were the major compounds associated with these antimicrobial and antioxidant responses. Molecular docking and dynamics simulations identified luteolin, isorhamnetin, and diosmetin as potential inhibitors of the LasR receptor and human peroxiredoxin 5, with luteolin showing the strongest binding affinity (docking score − 10.8 kcal mol⁻¹ against LasR; MM-PBSA ΔGbinding = -19.78 kcal mol⁻¹). Overall, Cd stress acts as an abiotic elicitor, enhancing phenolic metabolism and associated bioactivities in rosemary.
Supplementary Information: The online version contains supplementary material available at https://doi.org/10.1186/s12870-026-09694-1.
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BibTeX
@article{kulak2026effects,
title = {{Effects of cadmium stress on phenolic composition and biological activities of rosemary (Salvia rosmarinus Spenn., syn. Rosmarinus officinalis L.): LC-HRMS and in-silico insights}},
author = {Muhittin Kulak and Demet Demiroglu and Yusuf Abdullah Bozkurt and Faika Yaralı Karakan and Ayse Karacali Tunc and Semiha Yenigun and Eren Ozden and Mesut Gok and Murat Tak and Nagihan Kilic and Sura Rahimova and Yunus Başar},
journal = {BMC Plant Biology},
year = {2026},
month = aug,
doi = {10.1186/s12870-026-09694-1},
url = {https://doi.org/10.1186/s12870-026-09694-1},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Effects of cadmium stress on phenolic composition and biological activities of rosemary (Salvia rosmarinus Spenn., syn. Rosmarinus officinalis L.): LC-HRMS and in-silico insights
AU - Muhittin Kulak
AU - Demet Demiroglu
AU - Yusuf Abdullah Bozkurt
AU - Faika Yaralı Karakan
AU - Ayse Karacali Tunc
AU - Semiha Yenigun
AU - Eren Ozden
AU - Mesut Gok
AU - Murat Tak
AU - Nagihan Kilic
AU - Sura Rahimova
AU - Yunus Başar
PY - 2026
DA - 2026/08/10
JO - BMC Plant Biology
DO - 10.1186/s12870-026-09694-1
UR - https://doi.org/10.1186/s12870-026-09694-1
AB - Cadmium (Cd) contamination is a major environmental stressor that adversely affects plant physiology, yet it may also stimulate the production of valuable secondary metabolites; therefore, this study aimed to evaluate the impact of Cd stress on phenolic composition and biological activities of rosemary (Rosmarinus officinalis L.) Plants were exposed to Cd levels (0-100 mg kg⁻¹), and extracts were analyzed using LC-HRMS for phenolic profiling, alongside antioxidant (ABTS˙⁺, DPPH˙, FRAP), antibacterial, and antibiofilm assays, complemented by molecular docking, and molecular dynamics simulations. The results revealed dose-dependent modulation of phenolic compounds, with rosmarinic acid as the predominant metabolite (peak relative intensity 23.283 at 20 mg kg⁻¹ Cd versus 22.679 in the control), while flavonoids such as luteolin, isorhamnetin, and diosmetin accumulated under specific Cd treatments. Antioxidant capacity showed assay-dependent variation, with ABTS˙⁺ activity increasing significantly at moderate Cd levels, whereas DPPH˙ and FRAP remained unchanged. Cd-treated extracts exhibited strain-specific antibacterial effects (minimum inhibitory concentration, MIC 256–2048 µg mL⁻¹), particularly against Pseudomonas aeruginosa and Staphylococcus aureus, and the highest antibiofilm activity was observed at the highest Cd concentration (mean inhibition 50.5% at 100 mg kg⁻¹ Cd, reaching 56.1% at 512 µg mL⁻¹). The flavonoids luteolin, diosmetin, and isorhamnetin, together with rosmarinic acid, were the major compounds associated with these antimicrobial and antioxidant responses. Molecular docking and dynamics simulations identified luteolin, isorhamnetin, and diosmetin as potential inhibitors of the LasR receptor and human peroxiredoxin 5, with luteolin showing the strongest binding affinity (docking score − 10.8 kcal mol⁻¹ against LasR; MM-PBSA ΔGbinding = -19.78 kcal mol⁻¹). Overall, Cd stress acts as an abiotic elicitor, enhancing phenolic metabolism and associated bioactivities in rosemary. Supplementary Information: The online version contains supplementary material available at https://doi.org/10.1186/s12870-026-09694-1.
SN - 1471-2229
ER -