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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]

Several Nepeta species, used in traditional uses, represent sources of valuable phytochemical composition, as well as in vitro biological and in silico clinical activities. In the present study, the antioxidant and DNA protective properties of methanol: chloroform (1 : 1) extracts of six Nepeta species were evaluated by comparison with standards. In HPLC‐MS/MS analysis, the main components of the extracts were identified as rosmarinic acid, caffeic acid, chlorogenic acid, shikimic acid, and scutellarin. In the GC‐FID analysis, the highest components were palmitate and cis‐11‐eicosenoic acid. N. aristata has the greatest total phenol and flavonoid contents. N. baytopii, N. aristata, N. italica, N. stenantha, and N. nuda exhibited the highest antioxidant activities. The N. nuda, N. aristata, N. italica, and N. trachonitica extracts were shown to have the most potent DNA protection activity. According to the result of the GC‐FID and HPLC‐MS/MS analysis of Nepeta extracts, ADMET studies of the main components of the extracts were performed. It was evaluated that palmitic acid had BBB permeability, but oleic acid was toxic. The in vitro and in silico results confirmed that Nepeta L. extracts are potential natural products. [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]

The present work aimed to evaluate the phytochemical contents of the methanol (ME), ethanol (ET), water (W), acetone (AC), ethyl acetate (EA), and hexane (HE) of Aristolochia bodamae root (ABR) as well as inhibition potential, antioxidative, and antimicrobial activities. The chemical composition analysis and antioxidant activity of ABR extracts were performed by commonly used assays. Antibacterial activities of ABR extracts were tested against three gram‐positive and three gram‐negative bacteria using disk diffusion and microdilution methods. The inhibition potential of the extract was adopted for urease and esterases. The extraction yield (27.10%), total phenolic (47.53 mg gallic acid equivalent/g), and flavonoid (9.74 mg quercetin equivalent/g) content of ABRME were found higher than other extracts. Vanillic acid, caffeic acid, epicatechin, p‐coumaric acid, ferulic acid, and protocatechuic acid were recognized as major components. ABRET, ABRHE, and ABREA extracts had a more effective total antioxidant activity than that of other extracts. The lipid peroxidation inhibition, H2O2, and superoxide scavenging activities of ABRME were found to be 35.94, 35.94, and 3.98 µg/mL, respectively. The ABRET exhibited a reduction force with the A0.5 values of 48.77 µg/mL. The inhibition levels of ABRAC and ABREA to esterases were determined to be more effective than galantamine. ABRME was identified as a more potent urease inhibitor (IC50: 188.42 µg/mL) than thiourea. ABRET demonstrated the antibacterial activity with the highest inhibition zone of 14.4 mm against Staphylococcus aureus. The ABRET found the lowest MIC value against Bacillus cereus (128 µg/mL). In these in vitro studies, it has been found that ABR extracts were a good source of antioxidant, antibacterial, and inhibition potent when evaluated together with phenolic components. [ABSTRACT FROM AUTHOR]

The acid catalyzed hydrolysis of the N-(p-substitutedphenyl) phthalimides in three different acids was investigated at 50.0 ± 0.1 °C. Two different antioxidant activity tests as DPPH• and ABTS•+ scavenging activities, and three various enzyme inhibition activity tests as urease, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) inhibition activities, were applied. Compound 3c (2.03 μg/mL) has higher antioxidant activity than other compounds and standards according to DPPH test. In AChE assay, compounds 3a and 3b (13.13 and 9.59 μg/mL) has higher enzyme inhibition activity than the standard Galantamine (14.37 μg/mL). In BChE and urease tests, all compounds (6.84-13.60 and 10.49-17.73 μg/mL) have higher enzyme inhibition activity than the standard Galantamine (49.40 μg/mL) and thiourea (26.19 μg/mL), respectively. The molecule interaction for each of the three compounds with the active sites of AChE, BChE, and urease enzymes was examined via molecular docking simulations. [ABSTRACT FROM AUTHOR]

This study was designed to evaluate in vitro the total phenolic, flavonoid content, anti-oxidant activity, oxidative DNA-damage protection and anticancer activity of n-butanol extract from Perralderia coronopifolia, endemic plant. DNA protection capacity was performed using 46966 plasmid DNA against UV-photolysis of H2O2-induced oxidative damage. The anti-proliferative effects of extract were performed on HeLa and C6 cells. Experimental results showed that extract had convenient number of phenolic and flavonoids. Furthermore, it provided strong anti-oxidant, reducing power, hydrogen peroxide and higher DPPH scavenging ability with IC50= 7.02 ± 0.02 μg/mL. As it shown an oxidative plasmid DNA-damage inhibition against UV-photolysis of H2O2, an anti-cancer activity at higher concentrations in cells. The data obtained that P. coronopifolia extract could be useful in human protection against infection and degenerative illness. [ABSTRACT FROM AUTHOR]