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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 Erişim2024Scopus SJRQ3Exploring Sorbus torminalis Leaves: Unveiling a Promising Natural Resource for Diverse Chemical and Biological Applications
Ak, Gunes; Tüfekci, Enis Fuat; Mustafa, Ahmed M.; Caprioli, Giovanni; Altunoglu, Yasemin Celik; Baloglu, Mehmet Cengiz; Cakılcıoglu, Ugur; Polat, Rıdvan; Darendelioglu, Ekrem; Zengin, Gokhan
Sorbus torminalis (L.) Crantz has a rich history of versatile applications spanning the fields of medicine and nutrition. It is noteworthy that the decoction obtained from S. torminalis leaves is a traditional treatment method against both diabetes and stomach disorders. Phytochemical profiling determined by HPLC/MS-MS. The effects of the extracts on cell viability were investigated using the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) method against MDA-MB-231 cell line (human breast adenocarcinoma).The ethanol/water extract contained more concentration of total phenolic (91.41 mg gallic acid (GAE) equivalent /gr) and flavanoid (29.10 mg rutin (RE) equivalent/gr) in the tested extract (p<0.05). Resulting of HPLC analysis, the chemical constituents varied depending on the solvents and chlorogenic acid, hyperoside, isoquercetin, delphindin-3,5-diglucoside, procyanidin B2, epicatechin, neochlorogenic acid, 3,5-dicaffeoylquinic acid were identified in all extracts. Overall, ethanol, n-hexane and ethyl acetate extracts showed the highest inhibition for the tyrosinase enzyme. The effect of leaf extracts of S. torminalis on antimicrobial, biofilm inhibitory, and anticancer activities was examined. Based on outcomes of our study recognize this plant as a critical source of medically active chemicals for feasible phytopharmaceutical and nutraceutical applications, providing the first scientific insight into the detailed biological and chemical profiles of S. torminalis.
AtıfScopus7OpenAlex5
İncele - MakaleAçık Erişim2024Scopus SJRQ1Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon
Avşar, Ömer Kaan; Kasbolat, Sevgi; Ak, Gunes; Nilofar; Caprioli, Giovanni; Santanatoglia, Agnese; Uysal, Ahmet; Uba, Abdullahi Ibrahim; Ponniya, Sathish Kumar M.; Paksoy, Mehmet Yavuz
The members of the genus Marrubium are of great interest because they contain biologically active compounds. With in this mind, we aimed to examine the chemical profiles and biological activities (antioxidant, enzyme inhibition and antimicrobial effects) of different extracts of Marrubium astracanicum subsp. macrodon. Extractions of the plants were carried out with the solvent n-hexane, acetone, acetone/water (70 %), and water. The antioxidant activity of these extracts was evaluated through six different assays, namely 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), metal chelating ability (MCA), and phosphomolybdenum (PBD). Additionally, the inhibitory effects of these solvents on five enzymes acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were investigated. The study detected 38 compounds in a plant, with the highest content in acetone and acetone/water extracts. The acetone/water extract demonstrated the highest antioxidant activity aligning with its superior total phenolic (51.9 mg gallic acid equivalent (GAE)/g) and flavonoid (31.0 mg rutin equivalent (RE)/g) content, highlighting a direct correlation between bioactive compound concentration and antioxidant potential across various assays. Regarding the enzyme inhibition activity, the acetone/water extract of this plant exhibited significant AChE inhibition measuring 2.5 mg galantamine equivalent (GALAE)/g and anti-glucosidase activity measuring 1.2 mmol acarbose equivalent (ACAE)/g. In antimicrobial evaluation, the acetone extract exhibited good antimicrobial activity against B. cereus at 0.2 mg/ml dose. In molecular docking analysis, delphinidin 3,5 diglucoside showed a good interaction with the active site of AChE active. Through the application of network pharmacology, an in-depth exploration was conducted to unravel the potential of compounds from M. astracanicum against Alzheimer's disease. The study specifically focused on identifying key targets within the Alzheimer's disease pathway, pinpointing crucial proteins such as Glycogen synthase kinase-3 (GSK3), Prostaglandin-endoperoxide synthase 2 (PTGS2), and Alzheimer's-associated amyloid precursor protein (APP). In summary, the plant can serve as a valuable ingredient in the production of functional products within the pharmaceutical, nutraceutical, and cosmeceutical applications.
AtıfScopus4OpenAlex4İncele - MakaleAçık Erişim2024Scopus SJRQ2Cytotoxic, antioxidant, and enzyme inhibitory activities of Centaurea stapfiana extracts and their HPLC-ESI-QTOF-MS profiles: Insights into an unexplored Centaurea species
Zengin, Gokhan; Fernández-Ochoa, Álvaro; de la Luz Cádiz-Gurrea, María; Jiménez, Francisco-Javier Leyva; Uba, Abdullahi Ibrahim; Ak, Gunes; Soomro, Sanam Iram; Balos, Maruf; Cakilcioglu, Ugur; Rodrigues, Maria João
The members of the genus Centaurea have a great interest in pharmaceutical and nutraceutical fields due to their biological potential. Based on this information, we aimed to evaluate the biological properties (antioxidant, enzyme inhibition and cytotoxicity) and chemical profile of the extract of Centaurea stapfiana, an unstudied species. The highest total phenolic content was found in the ethanol/water extract with 32.17 mg GAE/g. A total of 102 of them were identified by HPLC-ESI-QTOF-MS analysis. These compounds were mainly hydroxybenzoic acid and hydroxycinnamic acid as well as flavonoids. In the antioxidant tests, the ethanol/water extract had the best free radical scavenging and reducing ability. However, in the enzyme inhibition test, the ethanol extract was the most active. The extracts were also tested on two tumour cell lines (RAW 264.7 and HepG2) and one non-tumour cell line (S17). The ethanol extract showed the promising effect on HepG2 (cell viability: 28.6 % at 50 g/ml). Furthermore, we examined the interactions between the compounds and enzymatic and cellular targets. A good interaction was found between quercetin-3-xylosyl-(1- > 6)-glucoside and iNOS. In summary, our results suggest that C. stapfiana can be considered as a versatile raw material for the development of health-promoting applications in the pharmaceutical and cosmeceutical fields.
AtıfScopus13OpenAlex14İncele - MakaleAçık Erişim2021Scopus SJRQ3Preliminary investigation on chemical composition and bioactivity of differently obtained extracts from Symphytum aintabicum Hub.- Mor. &Wickens
Zengin, Gokhan; Sinan, Kouadio Ibrahim; Ak, Gunes; Angeloni, Simone; Maggi, Filippo; Caprioli, Giovanni; Kaplan, Alevcan; Çakılcıoğlu, Uğur; Akan, Hasan; Jugreet, Sharmeen
Symphytum species, commonly known as comfrey, hold a long history of folk medicinal uses for healing wounds, bone fractures and other pain resulting from inflammation. However, many species belonging to this genus have not yet been scientifically investigated and hence investigation in this regard is warranted. In the present research, S. aintabicum extracts prepared by different extraction techniques (homogenizer assisted extraction, infusion and maceration) were assayed for their chemosystematic attributes (total phenolic, flavonoid) as well as bioactive compound contents, antioxidant and enzyme inhibition potentials. For instance, the extracts were found to possess phenolic and flavonoid levels ranging from 35.50 to 112.25 mg GAE/g and 2.54–25.12 mg RE/g, respectively. In general, the extracts displayed significant antioxidant activity. However, methanolic and infusion extracts were observed as the most potent radical scavengers and reducing agents, most likely related to their phenolic content. The extracts also showed metal chelating power and total antioxidant capacity in phosphomolybdenum assay. Moreover, while all extracts showed inhibition on amylase, only the methanolic extracts acted as inhibitors of cholinesterases and tyrosinase, most probably due to their relatively higher flavonoid content. The findings also indicated that the extraction method as well as the solvent type used to more or less affect the yield of the bioactive compounds and extracts’ bioactivity reported herein. Hence, as a first report highlighting the in vitro pharmacological properties of S. aintabicum, promising results were revealed from the quantitative chemosystematic analysis of bioactive components present and as sources of antioxidants and enzyme inhibitors against key human illnesses, thus providing scope for potential applications in phytomedicine development.
AtıfScopus15OpenAlex14İncele - MakaleYalnız künye2021Scopus SJRQ3Enzyme inhibition and antioxidant functionality of eleven Inula species based on chemical components and chemometric insights
Ceylan, Ramazan; Zengin, Gokhan; Mahomoodally, Mohamad Fawzi; Sinan, Kouadio Ibrahime; Ak, Gunes; Jugreet, Sharmeen; Cakır, Oguz; Ouelbani, Rayene; Paksoy, Mehmet Yavuz; Yılmaz, Mustafa Abdullah
The members of the genus Inula have been widely used in traditional medicinal. In the present study, 11 Inula species were investigated for their phytochemical composition, antioxidant and enzyme inhibitory effects. While quinic acid was the principal compound in I. anatolica, I. britannica, I. inuloides, I. oculus-christi, I. peacockiana, I. sechmenii, I. thapsoides and I. viscidula extracts (22.43–42.02 mg/g dry extract (DE)), I. aucheriana and I. discoidea extracts contained rutin as their most abundant compound (23.28 and 79.10 mg/g extract, respectively). Interestingly, all the Inula extracts were active inhibitors of the five key clinical enzymes (acetylcholinesterase (3.56–5.13 mg galantamine equivalent (GALAE)/g), butyrylcholinesterase (1.49–7.34 mg GALAE/g), tyrosinase (112.31–122.13 mg kojic acid equivalent (KAE)/g), α-glucosidase (0.77–2.08 mmol acarbose equivalent (ACAE)/g) and α-amylase (0.73–0.90 mmol ACAE/g)). Furthermore, the extracts were observed to exhibit substantial antioxidant capacity (1,1-diphenyl-2-picrylhydrazyl (DPPH): 58.99–188.22 mg trolox equivalent (TE)/g); 2,2-azino-bis(3-ethylbenzo-thiazoline-6-sulfonic acid) (ABTS): 90.51–220.97 mg TE/g; cupric reducing antioxidant capacity (CUPRAC): 169.88–460.53 mg TE/g; ferric reducing antioxidant power (FRAP): 81.57–237.99 mg TE/g; metal chelating activity: 8.31–25.39 mg ethylenediamine tetraacetate equivalent (EDTAE)/g; phosphomolybdenum: 1.55–2.49 mmol TE/g). In conclusion, the Inula species studied herein showed promising pharmacological potentials justified by the presence of a panoply of bioactive compounds.
AtıfScopus60OpenAlex60İncele - MakaleAçık Erişim2021Scopus SJRQ2Evaluation of chemical constituents and biological properties of two endemic Verbascum species
Zengin, Gokhan; Mahomoodally, Mohamad Fawzi; Sinan, Kouadio Ibrahime; Sadeer, Nabeelah; Maggi, Filippo; Caprioli, Giovanni; Angeloni, Simone; Mollica, Adriano; Stefanucci, Azzurra; Ak, Gunes
Members from the Verbascum genus are well appraised for their traditional uses against a variety of ailments including anti-inflammatory related disorders. This study thus attempts at validating the biological properties of two underexplored Verbascum members namely Verbascum euphraticum Benth. (V. euphraticum) and Verbascum oocarpum Murb. (V. oocarpum) in terms of their antioxidant and enzymatic inhibitory activities. Concentration of specific bioactive compounds was also established and molecular dynamic analysis were conducted on amassed data. Results showed that total phenolic and total flavonoid contents were higher for the methanolic extract of V. oocarpum compared to the methanolic extract of V. euphraticum. Phytochemical quantification revealed that the extraction solvents influenced the phytochemical composition of the extracts. Derivatives of phenolic acids such as 3-caffeoylquinic acid and 3,5-dicaffeoylquinic acid together with some phenolic acids i.e., gallic, vanillic, caffeic, syringic, p-coumaric and ferulic acid, have been detected in the extracts of both Verbascum species. Methanolic extracts of V. euphraticum and V. oocarpum yielded the highest total content of monitored compounds resulting in 162.758 and 3716.861 μg/g of dried weight extract, respectively. The methanolic extracts of both plants showed highest antioxidant potential while the ethyl acetate and hexane extracts were potent inhibitors of cholinesterase, α-amylase and α-glucosidase. Molecular dynamic results indicated that vanillic acid is able to make strong interactions with copper ions of tyrosinase, resulting into an effective anti-tyrosinase activity. In light of the above, both Verbascum species could be considered for future phytopharmaceutical development.
AtıfScopus36OpenAlex36İncele - MakaleYalnız künye2021Scopus SJRQ2Two Medicinal Plants (Alkanna trichophila and Convolvulus galaticus) from Turkey: Chemical Characterization and Biological Perspectives
Mahomoodally, Mohamad Fawzi; Zengin, Gokhan; Sinan, Kouadio Ibrahime; Ak, Gunes; Sadeer, Nabeelah Bibi; Angeloni, Simone; Mustafa, Ahmed M.; Caprioli, Giovanni; Maggi, Filippo; Cakilcioglu, Ugur
The aim of the present study was to quantify selected phenolic compounds, determine antioxidant activity and enzyme inhibitory effects of the aerial parts of Alkanna trichophylla Hub.-Mor. (A. trichophylla) and Convolvulus galaticus Rost.ex Choisy (C. galaticus) extracts prepared by homogenizer-assisted extraction (HAE), maceration (MAC) and infusion techniques. This is the first time such study has been designed to validate the phytochemical composition and bioactivity of these plants. Multivariate analysis was conducted on collected data. Rutin and caffeoylquinic acid derivatives were the most significant compounds in A. trichophylla and C. galaticus, respectively. The highest antioxidant activity of A. trichophylla was mostly exhibited by HAE/methanolic extracts as determined by DPPH, ABTS, FRAP (51.39, 112.70 and 145.73 mg TE/g, respectively) and phosphomolybdenum (2.05 mmol TE/g) assays. However, significant antioxidant activities varied within the extracts of C. galaticus. HAE/methanolic extract of A. trichophylla significantly depressed AChE (2.70 mg GALAE/g), BChE (5.53 mg GALAE/g) and tyrosinase (26.34 mg KAE/g) activities and that of C. galaticus inhibited AChE (2.04 mg GALAE/g), tyrosinase (31.25 mg KAE/g) and α-amylase (0.53 mmol ACAE/g) activities significantly. We concluded that HAE was the most efficient extraction technique as high yield of compounds and promising bioactivities were recorded from extracts prepared. Multivariate analysis showed that types of solvents influenced recovery of compounds and biological activities. This research study can be used as one methodological starting point for further investigation on these plants as all results are clearly promising and open the door to further research challenges such as cytotoxicity evaluation, molecular docking analysis, and more screening of pharmacological actions.
AtıfScopus12OpenAlex10İncele - MakaleAçık Erişim2021Scopus SJRQ1An insight into Verbascum bombyciferum extracts: Different extraction methodologies, biological abilities and chemical profiles
Angeloni, Simone; Zengin, Gokhan; Sinan, Kouadio Ibrahim; Ak, Gunes; Maggi, Filippo; Caprioli, Giovanni; Kaplan, Alevcan; Bahşi, Muammer; Çakılcıoğlu, Uğur; Bouyahya, Abdelhakim
The genus Verbascum, commonly known as "mullein", bears several species traditionally used to treat various infections, inflammations and wounds. In this study, extracts from V. bombyciferum, an endemic Verbascum species from Turkey, obtained by different solvents and extraction techniques, were investigated for their bioactive contents using spectrophotometry and high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) and evaluated for their antioxidant, as well as enzyme inhibitory potentials. While spectrophotometric determination revealed the homogenizer assisted extraction/methanolic extract to yield the highest total phenolic and flavonoid contents (41.80 ± 0.70 mg GAE/g and 39.44 ± 0.30 mg RE/g, respectively), the most significant total bioactive compounds (polyphenols) in the amount of 272.862 mg kg−1, established by HPLC-MS/MS analysis, was noted for the maceration/methanolic extract. Overall, the extracts showed varied antioxidant potency, displaying free radical scavenging ability (DPPH assay: 1.04–51.33 mg TE/g; ABTS assay: 80.04–85.60 mg TE/g), reducing power (CUPRAC: 51.48–183.26 mg TE/g; FRAP: 36.33–90.04 mg TE/g; metal chelating activity (18.48–19.80 mg EDTAE/g) and total antioxidant capacity (phosphomolybdenum assay: 0.78–1.92 mmol TE/g). However, extract of homogenizer assisted extraction/methanol exhibited the highest antioxidant activity in most assays. Only the maceration/methanolic extract inhibited all the studied enzymes (acetylcholinetserase: 2.02 ± 0.20 mg GALAE/g; butyrylcholinesterase: 4.57 ± 0.09 mg GALAE/g; tyrosinase 21.44 ± 3.41 mg KAE/g and amylase: 0.46 ± 0.01 mmol ACAE/g). This study is the first attempt to highlight the potential industrial applications of the endemic plant V. bombyciferum, as a natural source of bioactive compounds that could be considered for future development of phytopharmaceuticals, targeting specific oxidative stress-linked diseases including diabetes, skin hyperpigmentation, and neurological disorders.
AtıfScopus20OpenAlex24İncele - MakaleYalnız künye2020Scopus SJRQ1Chemical profile, antioxidant, antimicrobial, enzyme inhibitory, and cytotoxicity of seven Apiaceae species from Turkey: A comparative study
Zengin, Gokhan; Sinan, Kouadio Ibrahime; Ak, Gunes; Mahomoodally, Mohamad Fawzi; Paksoy, Mehmet Yavuz; Picot-Allain, Carene; Glamocilja, Jasmina; Sokovic, Marina; Jekő, József; Cziáky, Zoltán
Several Apiaceae species, used as both food and in complementary and alternative medicine, represents a rich source of potential valuable phytopharmaceuticals which necessitates scientific contemplation. In the present study, the antioxidant, enzyme inhibitory, antimicrobial, and cytotoxic properties of methanol extracts of seven Apiaceae species, (Chaerophyllum macrospermum (Willd. ex Spreng.) Fisch. & C.A.Mey. ex Hohen, Ferula rigidula Fisch. ex DC., Ferula orientalis L., Prangos ferulacea Lindl., Prangos peucedanifolia Fenzl., Ferulago setifolia K. Koch, and Pimpinella anthriscoides Boiss.) were evaluated. Species belonging to the Prangos genus exhibited the highest total phenolic content, namely P. peucedanifolia and P. ferulacea, with values of 47.90 and 44.44 mg gallic acid equivalent/g extract, respectively. P. peucedanifolia also displayed the highest radical scavenging capacity (81.53 and 102.70 mg Trolox equivalent [TE]/g extract for 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid (ABTS), respectively) and reducing power (165.87 and 100.09 mg TE/g extract for cupric reducing antioxidant capacity (CUPRAC) and ferric reducing antioxidant power (FRAP), respectively). C. macrospermum showed the most potent inhibition against Alzheimer's disease related enzymes, namely acetylcholinesterase (4.53 mg galantamine equivalent [GALAE]/g extract) and butyrylcholinesterase (3.22 mg GALAE/g extract). P. ferulacea (131.94 mg kojic acid (KAE) equivalent/g extract) and P. peucedanifolia (4.97 mmol acarbose equivalent (ACAE)/g extract) were potent inhibitors of tyrosinase and α-glucosidase, respectively. In general, studied species were able to reduce cellular viabilities. P. peucedanifolia possessed promising antibacterial potential against Bacillus cereus (Minimum inhibition concentration (MIC): 0.37 mg/mL), L. monocytogenes (MIC: 0.56 mg/mL), P. aeruginosa and Escherichia coli (MIC: 0.27 mg/mL), Salmonella typhimurium and Enterobacter cloacae (MIC: 0.75 mg/mL). F. rigidula showed the highest antifungal effect against Aspergillus ochraceus and Trichoderma viride (MIC: 0.10 mg/mL). The present findings could be the scientific starting point towards the pharmaceutical and/or commercial utilization of these Apiaceae species.
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