TY  - JOUR
AU  - Oalđe Pavlović, Mariana
AU  - Lunić, Tanja
AU  - Graovac, Stefan
AU  - Mandić, Marija
AU  - Repac, Jelena
AU  - Gašić, Uroš
AU  - Božić Nedeljković, Biljana
AU  - Božić, Bojan
PY  - 2022
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0926669022006835
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5013
AB  - Diabetes mellitus has been recognized as one of the most challenging public health problems in the 21st century. The present study aimed to investigate the antidiabetic potential of 18 selected Lamiaceae representatives on yeast α-glucosidase and further translate experimental data into predicted human α-glucosidase inhibition. Since conventional antidiabetic drugs exhibit numerous unavoidable side effects, plant extracts are being increasingly explored as safer alternatives. Plant extracts were prepared by maceration, characterized by liquid chromatography-mass spectrometry (LC-MS), and subjected to in vitro determination of yeast α-glucosidase inhibitory potential, after which the kinetic study of one of the most potent extracts (Mentha × piperita) was performed. Docking simulations were done on both yeast and human α-glucosidase to explore binding modes and energies of the secondary metabolites identified in the examined extracts. Finally, the dynamical model has been constructed (adjR2 = 0.9885) and applied to explore extracts’ inhibition potential onto the human α-glucosidase. The constructed dynamical model revealed, for the first time, that different extracts of Satureja montana represent highly promising candidates for the prevention/treatment of diabetes mellitus. Therefore, the dynamical model described in this study represents a useful tool and a significant advance in the discovery of novel therapeutics with antidiabetic potential in humans.
PB  - Elsevier B.V.
T2  - Industrial Crops and Products
T1  - Extracts of selected Lamiaceae species as promising antidiabetics: Chemical profiling, in vitro and in silico approach combined with dynamical modeling
VL  - 186
DO  - 10.1016/j.indcrop.2022.115200
SP  - 115200
ER  - 

@article{
author = "Oalđe Pavlović, Mariana and Lunić, Tanja and Graovac, Stefan and Mandić, Marija and Repac, Jelena and Gašić, Uroš and Božić Nedeljković, Biljana and Božić, Bojan",
year = "2022",
abstract = "Diabetes mellitus has been recognized as one of the most challenging public health problems in the 21st century. The present study aimed to investigate the antidiabetic potential of 18 selected Lamiaceae representatives on yeast α-glucosidase and further translate experimental data into predicted human α-glucosidase inhibition. Since conventional antidiabetic drugs exhibit numerous unavoidable side effects, plant extracts are being increasingly explored as safer alternatives. Plant extracts were prepared by maceration, characterized by liquid chromatography-mass spectrometry (LC-MS), and subjected to in vitro determination of yeast α-glucosidase inhibitory potential, after which the kinetic study of one of the most potent extracts (Mentha × piperita) was performed. Docking simulations were done on both yeast and human α-glucosidase to explore binding modes and energies of the secondary metabolites identified in the examined extracts. Finally, the dynamical model has been constructed (adjR2 = 0.9885) and applied to explore extracts’ inhibition potential onto the human α-glucosidase. The constructed dynamical model revealed, for the first time, that different extracts of Satureja montana represent highly promising candidates for the prevention/treatment of diabetes mellitus. Therefore, the dynamical model described in this study represents a useful tool and a significant advance in the discovery of novel therapeutics with antidiabetic potential in humans.",
publisher = "Elsevier B.V.",
journal = "Industrial Crops and Products",
title = "Extracts of selected Lamiaceae species as promising antidiabetics: Chemical profiling, in vitro and in silico approach combined with dynamical modeling",
volume = "186",
doi = "10.1016/j.indcrop.2022.115200",
pages = "115200"
}

Oalđe Pavlović, M., Lunić, T., Graovac, S., Mandić, M., Repac, J., Gašić, U., Božić Nedeljković, B.,& Božić, B.. (2022). Extracts of selected Lamiaceae species as promising antidiabetics: Chemical profiling, in vitro and in silico approach combined with dynamical modeling. in Industrial Crops and Products
Elsevier B.V.., 186, 115200.
https://doi.org/10.1016/j.indcrop.2022.115200

Oalđe Pavlović M, Lunić T, Graovac S, Mandić M, Repac J, Gašić U, Božić Nedeljković B, Božić B. Extracts of selected Lamiaceae species as promising antidiabetics: Chemical profiling, in vitro and in silico approach combined with dynamical modeling. in Industrial Crops and Products. 2022;186:115200.
doi:10.1016/j.indcrop.2022.115200 .

Oalđe Pavlović, Mariana, Lunić, Tanja, Graovac, Stefan, Mandić, Marija, Repac, Jelena, Gašić, Uroš, Božić Nedeljković, Biljana, Božić, Bojan, "Extracts of selected Lamiaceae species as promising antidiabetics: Chemical profiling, in vitro and in silico approach combined with dynamical modeling" in Industrial Crops and Products, 186 (2022):115200,
https://doi.org/10.1016/j.indcrop.2022.115200 . .