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- MakaleAçık Erişim2026Scopus SJRQ1A multi-evidence computational and experimental strategy for Silene nerimaniae: combining phytochemical characterization, bioactivity assessment, and ADEFRank-HCT-116-based metabolite prioritization
Erharman, Ahmet; Yagi, Sakina; Uba, Abdullahi Ibrahim; Nikolić, Filip; Gašić, Uroš; Acar, Mikail; Dogan, Nurettin; Koyuncu, Ismail; Yapıcı, Ismail; Gulcin, Ilhami
This study presents the first comprehensive evaluation of the phytochemical composition, antioxidant properties, enzyme inhibitory effects, and cytotoxic potential of Silene nerimaniae G.E.Genç, Kandemir & İ.Genç (family Caryophyllaceae). Ethyl acetate, acetone, 70% acetone, and aqueous extracts were obtained from the aerial parts of the plant through maceration. Among the tested extracts, the acetone extract contained the highest total phenolic (24.37 mg GAE per g) and flavonoid (24.64 mg RE per g) contents. LC–MS analysis identified 52 bioactive constituents, including sugars, organic acids, phenolic acids, flavonoids, and fatty acids. The aqueous extract demonstrated the strongest radical scavenging activity against DPPH (23.02 mg TE per g) and ABTS (55.76 mg TE per g), as well as the highest Fe3+ reducing power (37.53 mg TE per g). In combination with the acetone extract, it also exhibited notable Cu2+ reducing activity (47.78 mg TE per g). Regarding enzyme inhibition, the ethyl acetate, acetone, and hydroacetone extracts displayed the strongest inhibitory activities against acetylcholinesterase (1.87 mg GALA per g), butyrylcholinesterase (2.92 mg GALA per g), and tyrosinase (60.44 mg KAE per g), respectively. All three extracts also inhibited α-amylase activity within the range of 0.73–0.77 mmol ACAE per g (p ≥ 0.05). In addition, the hydroacetone extract showed considerable inhibition of human carbonic anhydrase isoenzymes I (IC50 = 38.78 μg mL−1) and II (IC50 = 19.59 μg mL−1). The ethyl acetate extract exhibited the strongest cytotoxic effect against the colorectal cancer cell line HCT-116, with an IC50 value of 0.639 μg mL−1 and a selectivity index of 1.7. To contextualize this HCT-116-associated activity at the metabolite level, an ADEFRank-HCT116 (abundance–domain–evidence fusion ranking) workflow was applied by integrating EtOAc abundance, HCT-116-oriented QSAR evidence, applicability-domain confidence, and structure-assignment reliability. This analysis prioritized diosmetin, luteolin, eriodyctiol, acacetin, and isorhamnetin as core candidates for structure-based follow-up. Molecular docking screening predicted favorable docking profiles for the prioritized candidates, while 100 ns molecular dynamics simulations were used to assess the dynamic stability of the representative luteolin–PI3Kα, diosmetin–AKT1, and isorhamnetin–GSK-3β complexes. Taken together, these results indicate that S. nerimaniae may represent a valuable source of active compounds for various functional nutraceutical, cosmetic and pharmaceutical uses. This journal is
- MakaleAçık Erişim2025Scopus SJRQ2In vitro and in silico analyses of cytoprotective, antigenotoxic and antimutagenic potential of Phlomis pungens var. hirta extracts against oxidative damage
Wild Korkmaz, Franziska Johanna; Dogan, Serap; Yilmaz Kardas, Begumhan; Diken, Mehmet Emin; Karasakal, Ömer Faruk; Acar, Mikail
Phlomis pungens var. hirta Velen has been used by local people for food and to treat diseases but there are limited number of investigations in literature about this plant and cyto/genotoxicity analyses have not been done before. Hence, this study aimed to find out cell-protective activity and DNA damage prevention ability of P. pungens var. hirta by MTS, micronucleus, 8-OHdG and somatic mutation recombination tests (SMART). In addition, liquid chromatography, antioxidant/antibacterial activity analyses and in silico biological activity profiling were performed. The healthy lymphocyte cell growth was supported by the plant extracts and none of the extracts was genotoxic. 8-OHdG test showed that methanolic and ethanolic extracts of the plant were able to decrease the oxidative DNA damage. According to the SMART results, extracts could suppress the genotoxic effects of an important environmental pollutant, H2O2. Rutin hydrate and quercetin were found in highest concentrations and the extracts could be characterized as antioxidant/antibacterial. In silico analysis also showed that the major compounds of this plant can be considered as chemoprotective. This is the first study that assessed the cell protective activity and DNA damage prevention capacity of P. pungens var. hirta, which should be regarded as a potential source for nutritional supplements and therapeutic products.
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İncele - MakaleYalnız künye2024Scopus SJRQ3Assessing the Chemical Composition, Antioxidant and enzyme Inhibitory Effects of Pentapleura subulifera and Cyclotrichium glabrescens Extracts
Nilofar, Nilofar; Zengin, Gokhan; Acar, Mikail; Bouyayha, Abdelhakim; Youssra, Aalilou; Eldahshan, Omayma; Fayez, Shaimaa; Fahmy, Nouran
The Lamiaceae family, encompassing diverse plant species, holds significant value in food, medicine, and cosmetics. Within this family, Pentapleura subulifera and Cyclotrichium glabrescens, relatively unexplored species, were investigated for their chemical composition, antioxidant capacity, and enzyme-inhibiting effects. The chemical composition of hexane, methanolic, and aqueous extracts from P. subulifera and C. glabrescens were analyzed using LC-ESI-MS/MS and the non-polar hexane fraction was investigated via GC-MS. The antioxidant potential of the extracts was determined through radical scavenging, reducing power and metal chelating assays. Additionally, inhibitory activity against six enzymes – acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase – was examined. The aqueous extract of P. subulifera and the methanolic extract of C. glabrescens exhibited elevated phenolic content at 129.47 mg gallic acid equivalent (GAE)/g and 55.97 mg GAE/g, respectively. Chemical profiling of the constituents of the two plant species resulted in the identification of a total of twenty compounds. The majority of which belonged to flavonoids and quinic acid derivatives, primarily concentrated in the methanol and aqueous extracts. Among all antioxidant assays, the aqueous extracts of P. subulifera demonstrated superior antioxidant activity, with the highest recorded activity of 404.93 mg trolox equivalent (TE)/g in the cupric reducing antioxidant capacity (CUPRAC) test. Meanwhile, the hexane extract of C. glabrescens exhibited the highest AChE inhibitory activity at 2.71 mg galanthamine equivalent (GALAE)/g, followed by the methanol extract of P. subulifera at 2.41 mg GALAE/g. These findings unequivocally establish the notable antioxidant and enzyme inhibitory activity of P. subulifera and C. glabrescens extracts, underscoring their potential as a source of valuable natural antioxidants.
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İncele - MakaleYalnız künye2023Scopus SJRQ1Cytoprotective, antimutagenic/antirecombinogenic and antibacterial properties of Lallemantia iberica extracts
Yilmaz Kardas, Begumhan; Diken, Mehmet Emin; Bayhan, Hamza; Acar, Mikail; Dogan, Serap
BACKGROUND: Plants have important chemical compounds to protect organisms from many mutagens but they may also have dangerous toxic substances that must be tested before use. Lallemantia iberica has been used by local people for treatment of some diseases but it was never tested for its cell protective and antimutagenic/antirecombinogenic properties. In this study, it was aimed to determine the cytoprotective, antimutagenic/antirecombinogenic, antibacterial, antioxidant and phenolic profile of L. iberica by MTS assay, micronucleus test/somatic mutation recombination test (SMART), disc diffusion method, ABTS/DPPH tests and liquid chromatography (LC), respectively. RESULTS: MTS assay results showed that both of the extracts supported the normal growth of healthy human lymphocytes and there was no significant difference between extracts. Although there was no significant increase in micronucleus concentration (‰) of the cultures treated with ethanol or methanol extracts, methanol extract caused slightly lower micronucleus concentration (12.64 ± 3.65‰) than the ethanol extract (24.46 ± 4.50‰). SMART results showed that ethanol and methanol extracts prevented harmful mitotic recombination. Lallemantia iberica also showed antibacterial activity against all of the strains tested, and the largest inhibition zones were observed with Pseudomonas aeruginosa (17.9 mm) and Enterobacter aerogenes (13.8 mm). Methanol extracts showed better antioxidant activities (ABTS IC50: 104.07 μg mL−1, DPPH IC50: 58.8 μg mL−1) than ethanol extracts (ABTS IC50: 344.03 μg mL−1, DPPH IC50: 233.7 μg mL−1). According to the LC results, the most abundant phenolic compounds were rutin hydrate (1796.4 ± 62.9 mg kg−1) and p-coumaric acid (228.1 ± 7.60 mg kg−1). CONCLUSION: Lallemantia iberica extracts had cell-protective, antimutagenic/antirecombinogenic, antibacterial and strong antioxidant characteristics in relation to their rich phenolic content.
AtıfScopus7WoS5OpenAlex9İncele - MakaleAçık Erişim2022Anatomical, Micromorphological, Karyological and Biochemical study of Scutellaria orientalis subsp. virens and Scutellaria salviifolia
Acar, Mikail; Tasar, Neslihan; Akbulut, Guelcin Beker
In this study, the anatomical and micromorphological structure, karyological characteristics and biochemical content of Scutellaria orientalis subsp. virens and endemic Scutellaria salviifolia, whose distributions areas overlap, were compared. Some anatomical and micromorphological differences were observed on the taxa; scleranchymatic pericycle layer on the stem, stomata density, distribution of trichomes, as well as the main vascular bundle and general shape of the petiole. The chromosome numbers of both taxa were determined as 2n = 22. However, there was a difference between chromosome length range and total chromosome length. The chromosome numbers and chromosome morphologies of these species have been defined for the first time in this paper. Differences in biochemical content were observed between species. Chlorophyll a (Chl a), total chlorophyll (Total Chl), total carbohydrate and malondialdehyde (MDA) contents were determined higher in leaf and stem samples of S. orientalis subsp. virens than S. salviifolia. There was no significant difference between the two taxa in terms of chlorophyll b (Chl b) content. Carotenoid (Car) content was detected higher in leaves samples of S. orientalis subsp. virens, but no significant difference was found between stems samples. Also, the effect of taxa on biochemical contents in relation to the habitat they live in is given in this study.
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