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Ixoroside, an iridoid glycoside, was isolated from two endemic plants, Nepeta aristata and Nepeta baytopii and its structure was elucidated by comprehensive analysis with NMR and mass spectrophotometers. It was observed that the compound exhibited strong antioxidant activity in phosphomolybdenum-reducing power (55.65±0.02 μg/mL), H2O2 (2.97±0.50 μg/mL), and superoxide anion scavenging (11.31±0.19 μg/mL) activities. It has also been noted that the ixoroside molecule has enzyme inhibitor (7.01±0.001 μg/mL for urease, 19.06±0.51 μg/mL for AChE, 9.90±0.5 μg/mL for BChE, 16.87±0.08 μg/mL for α-amylase, 4.11±0.36 μg/mL for α-glucosidase and 2.23±0.001 μg/mL for tyrosinase) and DNA protective effect (55.14% for Form I) and antibacterial (10 mm against K. pneumoniae, 9.00 mm against E. faecalis and 11.00 mm against S. aureus, 128 μg/mL against E. coli and E. faecalis). In silico studies, density functional theory (DFT) and molecular docking were performed to elucidate ixoroside interaction with enzymes. In enzyme inhibition kinetics, ixoroside exhibited strong interaction with urease (Ki, 0.11 mM, mixed-uncompetitive), α-glucosidase (Ki, 0.10 mM, noncompetitive) and tyrosinase (Ki, 0.10 mM, noncompetitive). Additionally, BChE was observed to interact strongly with α-glucosidase and tyrosinase with binding constants of 0.49, 1.19 and 3.15 μM in molecular docking. Moreover, the pharmacological properties of ixoroside examined by adsorption, distribution, metabolism, excretion and toxicity (ADMET) showed that the molecule has drug-like properties. [ABSTRACT FROM AUTHOR]

Nepeta taxa are popular plants and sources of traditional Turkish medicine. Chemical constituents in the essential oils (EOs) hydrodistilled from above‐ground parts of Nepeta aristata (NA), N. baytopii (NB), N. italica (NI), N. nuda (NN), and N. stenantha (NS) were determined using GC‐MS. The pharmacological activities of EOs, such as biological activities, were evaluated in vitro. DNA protection activities of NS‐EO were found to be the most effective. The NA‐EO, NI‐EO, and NS‐EO were more potent urease inhibitors, while the NS‐EO exhibited potent AChE inhibitors. Their molecular docking, molecular dynamics and enzyme inhibition results were compatible with the major components. Furthermore, MolDock and binding affinity results were found to be high. Moreover, AChE‐tau‐cadinol, BChE‐tau‐cadinol and tyrosinase‐Caryophyllene oxide complexes showed stability when simulated for 100 ns, with high MM‐PBSA energy values. In addition, the main components′ pharmacokinetic properties were observed to be effective. The present study showed that EOs may be valuable natural products for future pharmacological research, food, and the cosmetic industry according to in vitro and in silico values. [ABSTRACT FROM AUTHOR]

Plant-derived bioactive substances have demonstrated significant qualities that suggest they may be crucial in preventing various chronic diseases. Flavonoids, which include apigenin, are the biggest group of polyphenols. In our study, we aimed to obtain the methanol-chloroform (1:1) extract from the aerial parts of Nepeta baytopii Hedge & Lamond and purify the apigenin using bioactivity-guided isolation to separate the active fraction. The current in vitro study provides updated knowledge on apigenin regarding its previously unresearched DNA protection activity and enzyme inhibition, enzyme inhibition kinetics, and enzyme-apigenin interactions. In this context, these studies will be the first and will contribute to the literature. Apigenin had high urease (IC 50 -5.00 ± 0.00 µM), butyrlcholinesterase (BChE:IC 50 -10.48 ± 0.00 µM), and tyrosinase (IC 50 -177.82 ± 14.40 µM) inhibition activities, while inhibition binding constants were high in urease (K i -0.05 mM), tyrosinase (K i -0.06 mM), and carbonic anhydrase (K i -0.08 mM). The binding affinities and constants of the interaction were also ascertained to be high for BChE (-9.50 kcal/mol, and K i -0.11 µM), and tyrosinase (-8.80 kcal/mol, and K i , 0.62 µM) with apigenin. In summary, apigenin can be used as an inhibitor for five enzymes. These results will give priority to further studies. Apigenin showed high DNA protection activity with a Form I value of 67.37%. These data demonstrated that the interaction formed by BChE-apigenin gave the best results regarding enzyme inhibition and enzyme-molecule interaction. The stability of this complex was evaluated using molecular dynamics modeling.

In this study, we investigated the phenolic profile, metal concentrations, and antioxidant and antimicrobial activities of edible mushrooms collected from Sinop, Turkey: Amanita caesarea, Boletus edulis, Grifola frondosa, Hydnum repandum, Lactarius deliciosus, L. piperatus, L. volemus, Laetiporus sulphureus, Pleurotus ostreatus, and Ramaria flava. The mycochemical contents of R. flava, L. sulphureus, A. caesarea, L. deliciosus, and B. edulis were high. The cobalt (Co), cadmium (Cd), nickel (Ni), and lead (Pb) contents of mushrooms were between < 0.54 and 8.97 ppm. L. deliciosus had effective total antioxidant activity (7990 μmol α-tocopherol eq./g), ABTS·+ (2,2'-azino-bis-(3-ethylbenzthiazoline-6-sulphonic acid)) scavenging activity scavenging activity (EC50:7.87 μg/mL), and free-radical scavenging activity (EC50: 0.018 μg/mL) due to high levels of phenol, flavonoid, β-carotene, and lycopene. B. edulis demonstrated strong reducing power (A0.5: 11.89 μg/mL), inhibition of linoleic acid peroxidation (EC50:0.0016 μg/mL), and H2O2 scavenging activity (EC50: 0.28 μg/mL). A. caesarea and R. flava showed the best metal chelating activity (EC50:44.31 μg/mL) and superoxide anion scavenging activity (EC50:0.18 μg/mL), respectively. Inhibition zone values of A. caesarea extract were detected between 8.1 and 27.1 mm for B. cereus. Our results show that mushrooms are promising dietary sources for natural prevention of many infectious diseases and that they act as antioxidant agents.