Sürdürülebilir Kalkınma Amaçları
Yazarlar
- Açar, Mikail(2)
- Karasakal, Ömer Faruk(2)
- Tuncay, Salih(2)
- Uslu, Harun(2)
- Adiguzel, Ragip(1)
- Ahmed, Sheikh Sunzid(1)
- Akbar, Mohammad Ahsanul(1)
- Akbulut, Ekrem(1)
- Alataş, Mevlüt(1)
- Alqahtani, Ali S.(1)
- Beydemir, Şükrü(1)
- Cakilcioğlu, Uğur(1)
- Cakmak, Mehmet Nuri(1)
- Colak, Naki(1)
- Coteli, Ebru(1)
- Danis, Ozkan(1)
- Donmez, Melike(1)
- Emre, Mustafa Yunus(1)
- Eroglu, Mucahit(1)
- Göktaş, Bünyamin(1)
- Güngören, Muhammed(1)
- Ispir, Unal(1)
- Işık, Mesut(1)
- KIRICI, Muammer(1)
- Kılınç, Namık(1)
- Mutlu, Ozal(1)
- Orhan, Cemal(1)
- Oğuz, Ercan(1)
- Pala, Aysegul(1)
- Poustforoosh, Alireza(1)
- Rahman, M. Oliur(1)
- Sariyer, Emrah(1)
- Sekerci, Memet(1)
- Toptancı, İsra(1)
- Topuzogullari, Murat(1)
- Turgut-Balik, Dilek(1)
- Türkan, Fikret(1)
- Tüzün, Burak(1)
- YONAR, Muhammet Enis(1)
- YONAR, Serpil MİŞE(1)
Yayınlar
- MakaleAçık Erişim2026Scopus SJRQ1Ellagic Acid Mitigates Lead (Pb)-Induced Toxicity in Cyprinus carpio: A Multi-Biomarker Assessment of Hematological, Immunological, and Oxidative Stress Responses Supported by Molecular Docking
Eroglu, Mucahit; Cakmak, Mehmet Nuri; Pala, Aysegul; Uslu, Harun; Yonar, Serpil Mise; Ispir, Unal; Orhan, Cemal; Yonar, Muhammet Enis
Lead (Pb) is a widespread environmental pollutant that induces systemic toxicity in aquatic organisms primarily through oxidative stress, hematological disruption, and immune dysfunction. This study investigated the protective effects of ellagic acid (EA) against Pb-induced toxicity in common carp (Cyprinus carpio) using a multi-biomarker approach and molecular docking. Fish were assigned to six experimental groups: control, EA-treated, Pb-I, Pb-I + EA, Pb-II, and Pb-II + EA. Fish in the Pb-I and Pb-II groups were exposed to 2.5 and 5 mg/L Pb, respectively, while EA was administered via diet at 100 mg/kg for 14 days. At the end of the exposure period, hematological indices, innate immune parameters, and oxidative stress biomarkers were assessed in blood, liver, kidney, and gill tissues. Pb exposure caused marked hematological impairment, suppressed immune responses, increased malondialdehyde levels, and disrupted antioxidant defense by reducing SOD, CAT, GSH-Px, and GSH levels while increasing GST activity. In contrast, dietary EA supplementation significantly mitigated Pb-induced alterations, improved hematological and immunological responses, reduced lipid peroxidation, restored antioxidant capacity, and normalized GST activity to control levels. Molecular docking analyses further showed that EA interacts with hemoglobin and immunoglobulin M, supporting its potential role in preserving oxygen transport and immune functions under Pb-induced stress. Overall, the findings demonstrate that Pb-induced toxicity involves coordinated disruption of redox homeostasis and immune function, whereas EA exerts a multi-target protective effect through biochemical and molecular mechanisms. This study provides mechanistic insight into chemical-biological interactions and supports the potential application of natural bioactive compounds in mitigating heavy metal-induced toxicity.
- MakaleAçık Erişim2026Scopus SJRQ2Antioxidant capacity and α-glucosidase inhibitor activity of Bryonia aspera extracts and its major constituent p-coumaric acid: Phytochemical analysis, biological evaluation and computational approach
Tuncay, Salih; Karasakal, Ömer Faruk; Açar, Mikail; Toptancı, İsra; Şenol, Halil; Çırak, Olgun; Işık, Mesut; Beydemir, Şükrü
This study comprehensively investigated the phenolic composition, antioxidant potential, and α-glucosidase inhibitory properties of B. aspera Steven ex Ledeb. extracts using integrated in vitro and in silico approaches. LC-MS/MS analysis identified seven major phenolic compounds, caffeic acid, chlorogenic acid, galangin, gallic acid, naringenin, p-coumaric acid, and rutin, with p-coumaric acid being the most abundant (306.71 mg/kg in aerial and 155.56 mg/kg in root extracts). Both extracts exhibited strong antioxidant and α-glucosidase inhibitory activities, particularly the aerial extract (IC50 = 0.678 and 0.173 for DPPH, ABTS, respectively and 0.022 mg/mL for α-glucosidase inhibition). Molecular docking and MM-GBSA analyses supported these findings, showing that p-coumaric acid had the strongest binding to α-glucosidase (–7.783 kcal/mol, ΔG = –47.76 kcal/mol), stabilized by key interactions with Asp-62, Arg-200, His-332, and Arg-400. A 250 ns molecular dynamics simulation confirmed the stability of the complex, and in silico ADME analysis revealed good oral absorption (67%) and compliance with Lipinski’s rule. Overall, results indicate that p-coumaric acid is the primary bioactive compound contributing to the antioxidant and α-glucosidase inhibitory activity of B. aspera, with promising potential as a natural lead for α-glucosidase inhibition.
- MakaleAçık Erişim2026Scopus SJRQ1Biochemical effects and theoretical study of a metformin in the carp (Cyprinus carpio) fry
İSPİR, Ünal; Tüzün, Burak; KIRICI, Muammer; Poustforoosh, Alireza; YONAR, Muhammet Enis; YONAR, Serpil MİŞE; ŞEKER, Engin
Pharmaceutical chemicals are frequently detected in wastewater, and metformin, an oral hypoglycemic agent, is among the most common. In this study, the effects of metformin on biochemical (total protein, glycogen, lipid) and antioxidant (malondialdehyde (MDA), glutathione (GSH), glutathione S-transferase (GST), catalase (CAT)) parameters were investigated in carp ( Cyprinus carpio ) fry. Fish were exposed to 40 and 80 µg/L metformin for 96 h, 14 and 21 days. No mortalities occurred in any group. At 80 µg/L for 21 days, total protein activity and lipid levels significantly decreased. Glycogen activity showed no significant differences compared to controls. Antioxidant parameters measured spectrophotometrically revealed that MDA levels, CAT and GST activities decreased with time but increased with dose, while GSH levels rose with time yet decreased with dose. Overall, significant time- and dose-dependent effects ( p < 0.05) were observed. In silico analyses were also performed. The activity of metformin against antioxidant proteins was evaluated, and molecular dynamics simulations confirmed strong interactions with the most active protein. ADME/T analysis provided pharmacokinetic insights, and Gaussian-based quantum chemical calculations (EHOMO, ELUMO, ΔE, dipole, etc.) characterized electronic and structural properties. These combined results indicate that metformin alters key biochemical pathways in carp fry and has significant reactivity toward antioxidant proteins. Findings suggest potential ecotoxicological risks in aquatic systems and relevance to pharmacological profiling.
AtıfScopus1OpenAlex1
İncele - MakaleYayıncıda açık erişim2026Scopus SJRQ1Phenolic Profiling of Some Bryophyte Species: In Vitro and In Silico Assessment of Their Antimicrobial Potentials
Çambay, Zafer; Uslu, Harun; Coteli, Ebru; Göktaş, Bünyamin; Özdemir Bayçinar, Kevser; Emre, Mustafa Yunus; Güngören, Muhammed; Alataş, Mevlüt
This study explores the phytochemical composition and antimicrobial potential of Palustriella commutata, Philonotis calcarea, Cinclidotus riparius, Rhynchostegium riparioides, Plagiomnium ellipticum, and Porella platyphylla, with a focus on bryophyte species phenolic constituents and biological activities. HPLC analysis identified seven phenolic acids (4-hydroxybenzoic acid, 2,5-dihydroxybenzoic acid, 3,4-dihydroxybenzoic acid, caffeic acid, vanillic acid, syringic acid, and p-coumaric acid) across all species in varying concentrations. In in vitro antimicrobial tests, the bryophyte extracts used showed significant activity against Pseudomonas aeruginosa (ATCC 9027), while exhibiting relatively lower inhibition against Staphylococcus aureus (ATCC 25923). The study showed that all species extracts exhibited comparable activity to erythromycin against P. aeruginosa, while Cinclidotus riparius and Plagiomnium ellipticum extracts showed no activity against S. aureus, and the remaining species exhibited lower activity compared to erythromycin. Molecular docking studies demonstrated strong binding affinities of these phenolics to the active site of the target macromolecule (PDB ID: 3FRQ), suggesting meaningful interactions with residues such as ARG122 and ASN123, similar to erythromycin binding patterns. The findings indicate that bryophyte-derived phenolic compounds possess significant antimicrobial potential and may serve as promising candidates for the development of novel bioactive agents. This study provides a broad framework for the insufficiently researched antimicrobial potential of bryophytes by establishing direct links between species-specific phenolic fingerprints, experimentally observed antibacterial activities, and predicted receptor-level interactions. Further complementary biological studies are needed to confirm and expand upon these results.
- MakaleAçık Erişim2025Scopus SJRQ2Synthesis and characterization of novel bis(thiosemicarbazone) complexes and investigation of their acetylcholinesterase and glutathione S-transferase activities with in silico and in vitro studies
Donmez, Melike; Sekerci, Memet; Adiguzel, Ragip; Oğuz, Ercan; Türkan, Fikret; Yildiko, Umit; Colak, Naki
In this study, firstly, bis(thiosemicarbazone) ligand [L: 2,2′-(2-(2-(4-methoxyphenyl)hydrazineylidene)cyclohexane-1,3-diylidene)bis(hydrazine-1-carbothioamide)] was synthesized by the condensation reaction of thiosemicarbazide and ketone compound (2-(2-(4-methoxyphenyl)hydrazone)cyclohexane-1,3-dione). The metal complexes were synthesized by the reaction of obtained ligand (L) with CuCl2·2H2O, NiCl2·6H2O, CoCl2·6H2O, and MnCl2·4H2O salts. The structures of synthesized ligand and their complexes were characterized using elemental analysis, IR, UV–Vis, 1H-NMR spectra, 13C-NMR spectra, magnetic susceptibility, mass spectra (LC–MS), thermogravimetry analysis-differential thermal analysis (TGA-DTA), and differential scanning calorimetry techniques. According to the results of the analysis, square plane geometry was suggested for Cu and Co complexes. However, the structures of Ni and Mn complexes were in agreement with octahedral geometry. Molecular docking analysis and pharmacological potential of the compound were evaluated to determine the inhibitory potential against acetylcholinesterase (AChE) and Glutathione-S-transferases (GST) enzymes. The compound exhibited strong binding/docking indices of − 5.708 and − 5.928 kcal/mol for the respective receptors. In addition, L–Ni(II) complex was found to be the most effective inhibitor for AChE enzyme with a Ki value of 0.519. However, with a Ki value of 1.119, L–Cu(II) complex was also found to be an effective inhibitor for the GST enzyme.
AtıfScopus21OpenAlex19İncele - MakaleYalnız künye2024Scopus SJRQ2Insight into novel inhibitors from Sterculia urens against Cholera via pharmacoinformatics and molecular dynamics simulation approaches
Rahman, M. Oliur; Ahmed, Sheikh Sunzid; Alqahtani, Ali S.; Cakilcioğlu, Uğur; Akbar, Mohammad Ahsanul
The underdeveloped countries with large populations are facing a grave global threat in the form of cholera. Vibrio cholerae, the etiologic agent of Cholera has drawn attention recently due to antimicrobial resistance and resulting outbreaks that necessitates establishment of novel medications to counteract virulence and viability of the pathogen. Sterculia urens Roxb. (Malvaceae) is an ethnomedicinally important tree, which harbors a good number of bioactive phytocompounds. In the present study, 53 phytocompounds of S. urens were screened against the promising target ToxT of V. cholerae employing structure-based drug design approach that revealed three lead compounds, viz., 4,4,5,8-Tetramethylchroman-2-ol (−8.2 kcal/mol), Beta-Bisabolol (−8.2 kcal/mol) and Ledol (−8.7 kcal/mol) with satisfactory ADMET properties. Molecular dynamics simulation for 150 ns unveiled notable compactness and structural stability for the lead compounds considering RMSD, RMSF, Rg, MolSA, PSA and protein-ligand contacts parameters. Molecular mechanics-based MM/GBSA binding energy calculation revealed Beta-Bisabolol (−66.74 kcal/mol) to have better scores than 4,4,5,8-Tetramethylchroman-2-ol (−47.42 kcal/mol) and Ledol (−65.79 kcal/mol). Enzymes were mostly found as drug target class, and Nabilone was found as a structurally similar analog for 4,4,5,8-Tetramethylchroman-2-ol. These discoveries could aid in revealing new antibacterial medications targeting ToxT to combat Cholera. Communicated by Ramaswamy H. Sarma.
AtıfScopus8OpenAlex8İncele - MakaleYalnız künye2022Scopus SJRQ3Identification of Potential Inhibitors for Severe Acute Respiratory Syndrome-related Coronavirus 2 (SARS-CoV-2) Angiotensin-converting Enzyme 2 and the Main Protease from Anatolian Traditional Plants
Kılınç, Namık; Açar, Mikail; Tuncay, Salih; Karasakal, Ömer Faruk
Background: The 2019 novel coronavirus disease (COVID-19) has caused a global health catastrophe by affecting the human population around the globe. Unfortunately, there is no specific medi-cation or treatment currently available for COVID-19. Objective: It is extremely important to find effective drug treatment in order to put an end to this pandemic period and return to normal daily life. In this context and considering the urgency, rather than focusing on the discovery of novel compounds, it is critical to explore the effects of existing herbal agents with proven antiviral properties on the virus. Methods: Molecular docking studies were carried out employing three different methods, Glide extra precision (XP) docking, induced fit docking (IFD), and molecular mechanics/generalized born surface area (MM/GBSA), to determine the potential antiviral and antibacterial effects of 58 phytochemicals present in Rosmarinus officinalis, Thymbra spicata, Satureja thymbra, and Stachys lavandulifolia plants against the main protease (Mpro) and angiotensin-converting enzyme 2 (ACE2) enzymes. Results: 7 compounds stood out among all the molecules, showing very high binding affinities. Accord-ing to our findings, the substances chlorogenic acid, rosmarinic acid, and rosmanol exhibited extremely significant binding affinities for both Mpro and ACE2 enzymes. Furthermore, carnosic acid and alpha-cadinol showed potent anti-Mpro activity, whereas caffeic acid and carvacrol exhibited promising anti-ACE2 activity. Conclusion: Chlorogenic acid, rosmarinic acid, rosmanol, carnosic acid, alpha-cadinol, caffeic acid, and carvacrol compounds have been shown to be powerful anti-SARS-CoV-2 agents in docking simulations against Mpro and ACE2 enzymes, as well as ADME investigations.
AtıfScopus32WoS30OpenAlex31İncele - MakaleAçık Erişim2016Scopus SJRQ2Comprehensive structural analysis of the open and closed conformations of Theileria annulata enolase by molecular modelling and docking
Mutlu, Ozal; Yakarsonmez, Sinem; Sariyer, Emrah; Danis, Ozkan; Yuce-Dursun, Basalt; Topuzogullari, Murat; Akbulut, Ekrem; Turgut-Balik, Dilek
Theileria annulata is an apicomplexan parasite which is responsible for tropical theileriosis in cattle. Due to resistance of T. annulata against commonly used antitheilerial drug, new drug candidates should be identified urgently. Enolase might be a druggable protein candidate which has an important role in glycolysis, and could also be related to several cellular functions as a moonlight protein. In this study; we have described three-dimensional models of open and closed conformations of T. annulata enolase by homology modeling method for the first time with the comprehensive domain, active site and docking analyses. Our results show that the enolase has similar folding patterns within enolase superfamily with conserved catalytic loops and active site residues. We have described specific insertions, possible plasminogen binding sites, electrostatic potential surfaces and positively charged pockets as druggable regions in T. annulate enolase. (C) 2016 Elsevier Ltd. All rights reserved.
AtıfWoS8OpenAlex8İncele