o:33510 Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia en Without being aware of their chemical composition, many cultures have used herbaceous peony roots for medicinal purposes. Modern phytopreparations intended for use in human therapy require specific knowledge about the chemistry of peony roots and their biological activities. In this study, ethanol–water extracts were prepared by maceration and microwave- and ultrasound-assisted extractions (MAE and UAE, respectively) in order to obtain bioactive molecules from the roots of Paeonia tenuifolia L., Paeonia peregrina Mill., and Paeonia officinalis L. wild growing in Serbia. Chemical characterization; polyphenol and flavonoid content; antioxidant, multianti-enzymatic, and antibacterial activities of extracts; and in vitro gastrointestinal digestion (GID) of hot water extracts were performed. The strongest anti-cholinesterase activity was observed in PT extracts. The highest anti-ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) radical potential was observed in PP extracts, whereas against DPPH (2,2-diphenyl-1-picrylhydrazyl radicals), the best results were achieved with PO extracts. Regarding antibacterial activity, extracts were strongly potent against Bacillus cereus. A molecular docking simulation was conducted to gather insights into the binding affinity and interactions of polyphenols and other Paeonia-specific molecules in the active sites of tested enzymes. In vitro GID of Paeonia teas showed a different recovery and behavior of the individual bioactives, with an increased recovery of methyl gallate and digallate and a decreased recovery of paeoniflorin and its derivatives. PT (Gulenovci) and PP (Pirot) extracts obtained by UAE and M were more efficient in the majority of the bioactivity assays. This study represents an initial step toward the possible application of Paeonia root extracts in pharmacy, medicine, and food technologies. 1552099 https://doi.org/10.3390/ph17040518 2024-04-19T09:51:55.920Z 44 yes 46 Petar Batinić Institute for Medicinal Plants Research “Dr Josif Pančić”, Belgrade, Serbia Aleksandra A. Jovanović University of Belgrade, Institute for the Application of Nuclear Energy INEP, Serbia doktor tehnoloških nauka person 0000-0001-5394-0125 Dejan Stojkovic Institute for Biological Research “Siniša Stanković”, National Institute of the Republic of Serbia, University of Belgrade person Gökhan Zengin Science Faculty, Selcuk University, Turkey person Ilija Cvijetic Faculty of Chemistry, University of Belgrade person Uros Gasic Institute for Biological Research “Siniša Stanković”, National Institute of the Republic of Serbia, University of Belgrade person Natalija Cutovic Institute for Medicinal Plant Research “Dr Josif Pančić” person Mirjana Pesic Faculty of Agriculture, Institute of Food Technology and Biochemistry, University of Belgrade person Danijel Milincic Faculty of Agriculture, Institute of Food Technology and Biochemistry, University of Belgrade person Tamara Carevic Institute for Biological Research “Siniša Stanković”, National Institute of the Republic of Serbia, University of Belgrade person Aleksandar Marinkovic Faculty of Technology and Metallurgy, University of Belgrade person Branko Bugarski Faculty of Technology and Metallurgy, University of Belgrade person Tatjana Markovic Institute for Medicinal Plant Research “Dr Josif Pančić” person application/pdf 3063347 https://phaidrabg.bg.ac.rs/o:33510 no yes 16 70 1552253 11A19 11A21 11A29 11A41 11A33 Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia 17 4 518 Pharmaceuticals MDPI 2024-04-17