Publications by authors named "Ismail Celik"

133 Publications

An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants.

Front Pharmacol 2021 20;12:717757. Epub 2021 Aug 20.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Erciyes University, Kayseri, Turkey.

The rapid spread of a novel coronavirus known as SARS-CoV-2 has compelled the entire world to seek ways to weaken this virus, prevent its spread and also eliminate it. However, no drug has been approved to treat COVID-19. Furthermore, the receptor-binding domain (RBD) on this viral spike protein, as well as several other important parts of this virus, have recently undergone mutations, resulting in new virus variants. While no treatment is currently available, a naturally derived molecule with known antiviral properties could be used as a potential treatment. Bromelain is an enzyme found in the fruit and stem of pineapples. This substance has been shown to have a broad antiviral activity. In this article, we analyse the ability of bromelain to counteract various variants of the SARS-CoV-2 by targeting bromelain binding on the side of this viral interaction with human angiotensin-converting enzyme 2 (hACE2) using molecular docking and molecular dynamics simulation approaches. We have succeeded in making three-dimensional configurations of various RBD variants using protein modelling. Bromelain exhibited good binding affinity toward various variants of RBDs and binds right at the binding site between RBDs and hACE2. This result is also presented in the modelling between Bromelain, RBD, and hACE2. The molecular dynamics (MD) simulations study revealed significant stability of the bromelain and RBD proteins separately up to 100 ns with an RMSD value of 2 Å. Furthermore, despite increases in RMSD and changes in Rog values of complexes, which are likely due to some destabilized interactions between bromelain and RBD proteins, two proteins in each complex remained bonded, and the site where the two proteins bind remained unchanged. This finding indicated that bromelain could have an inhibitory effect on different SARS-CoV-2 variants, paving the way for a new SARS-CoV-2 inhibitor drug. However, more and research on this potential mechanism of action is required.
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http://dx.doi.org/10.3389/fphar.2021.717757DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8417730PMC
August 2021

Immunogenicity and safety of the CoronaVac vaccine in patients with cancer receiving active systemic therapy.

Future Oncol 2021 Aug 3. Epub 2021 Aug 3.

Department of Medical Oncology, HSU Dr Abdurrahman Yurtaslan Oncology Training & Research Hospital, Ankara, Turkey.

To evaluate the immunogenicity and safety of the CoronaVac vaccine in patients with cancer receiving active systemic therapy. This multicenter, prospective, observational study was conducted with 47 patients receiving active systemic therapy for cancer. CoronaVac was administered as two doses (3 μg/day) on days 0 and 28. Antibody level higher than 1 IU/ml was defined as 'immunogenicity.' The immunogenicity rate was 63.8% (30/47) in the entire patient group, 59.5% (25/42) in those receiving at least one cytotoxic drug and 100% (five of five) in those receiving monoclonal antibody or immunotherapy alone. Age was an independent predictive factor for immunogenicity (odds ratio: 0.830; p = 0.043). More than half of cancer patients receiving active systemic therapy developed immunogenicity.
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http://dx.doi.org/10.2217/fon-2021-0597DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8336634PMC
August 2021

Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2.

J Mol Liq 2021 Jul 9:116942. Epub 2021 Jul 9.

Department of Zoology, Shivaji College, University of Delhi, New Delhi, India.

The scientific community is continuously working to discover drug candidates against potential targets of SARS-CoV-2, but effective treatment has not been discovered yet. The virus enters the host cell through molecular interaction with its enzymatic receptors i.e., ACE2 and TMPRSS2, which, if, synergistically blocked can lead to the development of novel drug candidates. In this study, 1503 natural bioactive compounds were screened by HTVS, followed by SP and XP docking using Schrodinger Maestro software. Bio-0357 (protozide) and Bio-597 (chrysin) were selected for dynamics simulation based on synergistic binding affinity on S1 (docking score -9.642 and -8.78 kcal/mol) and S2 domains (-5.83 and -5.3 kcal/mol), and the RMSD, RMSF and Rg analyses showed stable interaction. The DFT analysis showed that the adsorption of protozide/chrysin, the band gap of protozide/chrysin-F/G reduced significantly. From SERS, results, it can be concluded that QDs nanocluster will act as a sensor for the detection of drugs. The docking study showed Bio-0357 and Bio-0597 bind to both S1 and S2 domains through stable molecular interactions, which can lead to the discovery of new drug candidates to prevent the entry of SARS-CoV-2. This in-silico study may be helpful to researchers for further in vitro experimental validation and development of new therapy for COVID-19.
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http://dx.doi.org/10.1016/j.molliq.2021.116942DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8267125PMC
July 2021

Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase.

J Biomol Struct Dyn 2021 Jul 19:1-10. Epub 2021 Jul 19.

Department of Chemistry, Faculty of Science, University of Jiroft, Jiroft, Iran.

Anthracenes are aromatic compounds with flexible structure and reactivity which are of great interest to theoretical and experimental chemists. Theoretical investigations of 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione (Mitoxantrone) (DDEA) based on density functional theory, molecular dynamics and adsorption on fullerene are reported in the present research. The suitable situation for adsorption with fullerene (C60) is the cyclohex-2-ene-1,4-dione ring of DDEA. Selected quantum-molecular descriptors have been calculated to predict the most reactive sites of the DDEA molecule. Interactions of DDEA with water have been studied using MD simulations. MD simulations were also used to study solubility parameter, a significant quantity for the development of pharmaceutical formulations. The affinity of DDEA on human dihydrofolate reductase and deoxyuridine triphosphatase enzymes was investigated by MD simulation of the protein-ligand complex obtained by molecular docking study.Communicated by Ramaswamy H. Sarma.
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http://dx.doi.org/10.1080/07391102.2021.1953602DOI Listing
July 2021

An analysis of anesthetists' awareness, knowledge, and attitudes toward peri-anesthetic dental trauma.

Dent Traumatol 2021 Jul 3. Epub 2021 Jul 3.

Department of Pediatric Dentistry Afyonkarahisar, School of Dentistry, Afyonkarahisar Health Sciences University, Afyonkarahisar, Turkey.

Background/aim: Peri-anesthetic dental trauma is a common anesthesia-related complication. It is the reason for a significant number of malpractice lawsuits against anesthetists through insurance companies. The frequency, outcomes, and risk factors related to peri-anesthetic dental trauma have been well documented. The aim of this study was to evaluate anesthetists' awareness, knowledge, and attitudes toward peri-anesthetic dental trauma.

Material And Methods: This nationwide, cross-sectional, descriptive study comprising 220 anesthetists was conducted in Turkey between June 2019 and May 2020. A specific questionnaire was created using Google Forms and delivered to 591 participants via WhatsApp. Pearson's Chi-squared test and the Fisher-Freeman-Halton tests were used to analyze the results.

Results: The overall response rate was 37.2% (220 out of 591 participants). Of the 80.5% of the participants who encountered peri-anesthetic dental trauma during their practice, 32.8% had encountered avulsion and 32.8% reported that they had caused soft tissue injuries. More than one-third of the participants (38.9%) stated that the patient group that was the most at-risk for peri-anesthetic dental trauma was older people with missing teeth. Half of the participants (50.9%) stated that avulsed teeth could be replanted; among them, 21.8% and 11.8% specified that the ideal replantation time was <30 min and that the ideal storage medium for the avulsed tooth was fresh milk, respectively. Furthermore, 88.1% of the participants noted that peri-anesthetic dental trauma occurred more frequently during emergency intubations and only 20.9% were aware of custom-made mouthguards.

Conclusions: Anesthetists lack knowledge around peri-anesthetic dental trauma and its interventions.
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http://dx.doi.org/10.1111/edt.12702DOI Listing
July 2021

Synthesis, in vitro antiprotozoal activity, molecular docking and molecular dynamics studies of some new monocationic guanidinobenzimidazoles.

Eur J Med Chem 2021 Oct 24;221:113545. Epub 2021 May 24.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ankara University, 06100, Tandogan, Ankara, Turkey. Electronic address:

A series of monocationic new guanidinobenzimidazole derivatives were prepared in a four step process starting from 2-nitro-1,4-phenylendiamine. Their antiparasitic activity against Plasmodium falciparum, Trypanosoma brucei rhodesiense, Trypanosoma cruzi and Leishmania donovani were evaluated in vitro. Two out of 20 tested monocationic compounds (7, 14) showed close activity with reference drug chloroquine against P. Falciparum. To understand the interactions between DNA minor groove and in vitro active compounds (7, 14) molecular docking studies were carried out. Stability and binding energies of DNA-ligand complexes formed by DNA with compounds 7 and 14 were measured by molecular dynamics simulations throughout 200 ns time. Root mean square deviation (RMSD) values of the ligands remained stable below 0.25 mm and root mean square fluctuation (RMSF) values of the active site residues with which it interacted decreased compared to the apo form. All compounds exhibited theoretical absorption, distribution, metabolism and excretion (ADME) profiles conforming to Lipinski's and Ghose's restrictive rules.
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http://dx.doi.org/10.1016/j.ejmech.2021.113545DOI Listing
October 2021

Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives-wavefunction-dependent properties, molecular docking, and dynamics simulation studies.

J Mol Model 2021 May 26;27(6):186. Epub 2021 May 26.

Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Erciyes University, Kayseri, Turkey.

This study explains the vibration and interaction of three pharmaceutically active hydrazine derivatives, (E)-3-((2-(2,5-difluorophenyl)hydrazono)methyl)-4H-chromen-4-one (DFH), (E)-3-((2-(4-(trifluoromethyl)phenyl)hydrazono)methyl)-4H-chromen-4-one (TMH), and (E)-3-((2-(3,5-bis(trifluoromethyl)phenyl)hydrazono)methyl)-4H-chromen-4-one (BPH) using theoretical approach. The trend in chemical reactivity and stability of the studied compounds was observed to show increasing stability and decreasing reactivity and this was obtained from orbital energies. The effect of bromine and chlorine atoms, instead of fluorine atoms, is also noted. Surface analysis on the covalent bond was attained by ELF and LOL analysis. Biological activities were predicted using molecular docking studies. Docking results were analyzed with standard drugs, 5-fluorouracil/piperine. Antitumor activity of hydrazine derivatives was found to be higher than reference ones. Molecular dynamics (MD) simulation was performed for 100 ns to validate the stability behavior of hydrazine derivatives with the dual specificity threonine tyrosine kinase (TTK) protein. RMSD, RMSF, Rg, SASA, and intermolecular analysis of DFH, TMH, and BPH with threonine tyrosine kinase forms stable ligand-protein interactions. The molecular and predictive biological properties of three pharmaceutically active hydrazine derivatives which can be helpful to researchers in future experimental validation through in vitro and in vivo studies.
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http://dx.doi.org/10.1007/s00894-021-04800-6DOI Listing
May 2021

Are the oxidative stress levels in the tumor center and tumor boundary different from those in healthy tissue?

Eur Arch Otorhinolaryngol 2021 Apr 3. Epub 2021 Apr 3.

Department of Otorhinolaryngology, Faculty of Medicine, Bezmialem Vakif University, Fatih, Istanbul, Turkey.

Purpose: This study aimed to investigate the relationship between oxidative stress levels in the tumor center, tumor edge, and healthy tissue.

Methods: This study included a total of 53 patients with head and neck cancer. Samples of 5 × 5 × 5 mm were collected from the tumor center, tumor edge, and the healthy tissue. Total antioxidant status (TAS), total oxidant status (TOS), and oxidative stress index (OSI) values were evaluated. (1) Oxidative stress values in the center and edge of all tumors and in healthy tissues were compared according to localization. (2) Tumors were divided into two groups as malignant (Group 1 [n = 28]: Laryngeal and tongue squamous cell cancers) and benign (Group 2 [n = 25]: Pleomorphic adenoma and Warthin tumors). The groups were compared according to the localization of the tissues.

Results: The TOS value in the tumor edge was significantly higher than those in the tumor center and the healthy tissue. The TAS value in tissue located in the tumor edge was significantly higher than in the healthy tissue. The OSI value in the tumor edge was significantly higher than those in the tumor center and the healthy tissue. In all three localizations (tumor center, tumor edge, and healthy tissue), TOS and OSI values in Group 1 were significantly higher than Group 2.

Conclusion: Oxidative stress values in the tumor edge are significantly higher than the center of the tumor and healthy tissue. In malignant tumors, oxidative stress values are significantly higher in all localizations compared to benign tumors.
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http://dx.doi.org/10.1007/s00405-021-06749-xDOI Listing
April 2021

In silico evaluation of potential inhibitory activity of remdesivir, favipiravir, ribavirin and galidesivir active forms on SARS-CoV-2 RNA polymerase.

Mol Divers 2021 Mar 25. Epub 2021 Mar 25.

Department of Medical Biology, Faculty of Medicine, Giresun University, Giresun, 28100, Turkey.

Since the outbreak emerged in November 2019, no effective drug has yet been found against SARS-CoV-2. Repositioning studies of existing drug molecules or candidates are gaining in overcoming COVID-19. Antiviral drugs such as remdesivir, favipiravir, ribavirin, and galidesivir act by inhibiting the vital RNA polymerase of SARS-CoV-2. The importance of in silico studies in repurposing drug research is gradually increasing during the COVID-19 process. The present study found that especially ribavirin triphosphate and galidesivir triphosphate active metabolites had a higher affinity for SARS-CoV-2 RNA polymerase than ATP by molecular docking. With the Molecular Dynamics simulation, we have observed that these compounds increase the complex's stability and validate the molecular docking results. We also explained that the interaction of RNA polymerase inhibitors with Mg, which is in the structure of NSP12, is essential and necessary to interact with the RNA strand. In vitro and clinical studies on these two molecules need to be increased.
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http://dx.doi.org/10.1007/s11030-021-10215-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992164PMC
March 2021

The Protective Role of Seed Extract Against Azoxymethane-Induced Colon Carcinogenesis in Rats.

Nutr Cancer 2021 Feb 9:1-14. Epub 2021 Feb 9.

Faculty of Science, Department of Molecular Biology and Genetics, Van Yuzuncu Yil University, Van, Turkey.

The aim of this study was to investigate the protective role of seed (UDS) extract against azoxymethane (AOM)-induced colon carcinogenesis in rats. Thirty-two male Wistar albino rats were divided into four groups: Control, AOM, AOM + UDS, and UDS. The AOM and AOM + UDS groups were induced by AOM (15 mg/kg body weight) subcutaneously once a week for 10 weeks. AOM + UDS and UDS groups additionally received fed with pellets included 30 ml/kg UDS extract. At the end of the trial, blood and colon tissue samples were taken from the rats following necropsy. The gross and histopathological findings revealed that the administration of UDS extract significantly decreased lesions including aberrant cript foci, adenoma, and adenocarcinoma formation both numerically and dimensionally. Immunohistochemically, slight CEA and COX-2, strong Caspase-3 immune-expressions were detected in the group AOM + UDS compared to AOM group. Biochemical examinations indicated that a markedly increase in the malondialdehyde and fluctuated antioxidant defense system constituents levels such as reduced glutathione, glutathione -transferase, glutathione peroxidase, superoxide dismutase were restored in AOM + UDS group. These results reveal that the UDS may act as a chemopreventive dietary agent, inducing apoptosis, resulting in a significant reduction of colon carcinogenesis.
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http://dx.doi.org/10.1080/01635581.2021.1881568DOI Listing
February 2021

Clinical features and outcomes of COVID-19 in patients with solid tumors: Turkish National Registry Data.

Int J Cancer 2020 Dec 7. Epub 2020 Dec 7.

Department of Preventive Oncology, Hacettepe University Cancer Institute, Ankara, Turkey.

We present demographic, clinical, laboratory characteristics and outcomes of the patients with solid malignancies and novel coronavirus disease (COVID-19) collected from the National COVID-19 Registry of Turkey. A total of 1523 patients with a current or past diagnosis of solid tumors and diagnosed with COVID-19 (confirmed with PCR) between 11 March and 20 May 2020 were included. The primary outcome was 30-day mortality. Median age was 61 (range: 18-94), and 752 (49%) were male. The most common types of cancers were breast (19.8%), prostate (10.9%) and colorectal cancer (10.8%). 65% of the patients had at least one comorbidity. At least one COVID-19-directed therapy was given in 73% of the patients.. Hospitalization rate of the patients was 56.6% and intensive care unit admission rate was 11.4%. Seventy-seven (5.1%) patients died within 30 days of diagnosis. The first multivariate model which included only the demographic and clinical characteristics showed older age, male gender and presence of diabetes and receipt of cytotoxic therapy to be associated with increased 30-day mortality, while breast and prostate cancer diagnoses were associated with lower 30-day mortality. In the second set, we further included laboratory parameters. The presence of leukocytosis (OR 6.7, 95% CI 3.3-13.7, P < .001), lymphocytopenia (OR 3,1, 95% CI 1,6-6,1, P = .001) and thrombocytopenia (OR 3,4 95% CI 1,5-8,1, P = .005) were found to be associated with increased 30-day mortality. Relatively lower mortality compared to Western countries and China mainly results from differences in baseline risk factors but may also implicate the importance of intensive supportive care.
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http://dx.doi.org/10.1002/ijc.33426DOI Listing
December 2020

Oxidative stress values of tumor core, edge, and healthy thyroid tissue in thyroid masses.

Eur Arch Otorhinolaryngol 2021 Aug 14;278(8):2953-2960. Epub 2020 Oct 14.

Department of Otorhinolaryngology, Faculty of Medicine, Bezmialem Vakif University, Fatih, Istanbul, Turkey.

Purpose: Reactive oxygen radicals play an important role in tumor formation, progression, and invasion. In this study, the aim was to investigate the relationship between the oxidative stress values of tumor core, edge, and healthy thyroid tissue in thyroid tumors.

Methods: A total of 51 patients with thyroid tumor, 24-malignant, and 27-benign, were included in this study. Samples, measuring 5 × 5 × 5 mm, were taken from the tumor core, edge, and healthy thyroid tissue of the participants. Total antioxidant status (TAS), total oxidant status (TOS), and oxidative stress index (OSI) values were examined. The oxidative stress values of core, edge, and healthy thyroid tissue of all tumors (n = 51) were compared according to the localization. The participants were divided into two groups as malignant (Group 1: Differentiated thyroid cancers) and benign (Group 2: Multinodular goiter). The groups were compared according to tissue localizations.

Results: The TOS value of tumor edge was significantly higher than the values of tumor core and healthy thyroid tissue. The OSI value of tumor edge was significantly higher than the values of tumor core and healthy thyroid tissue. There was no significant difference between Group 1 and Group 2 in terms of TAS, TOS, and OSI values of tumor core. The OSI values in tumor edge and healthy thyroid tissue were significantly higher in Group 1 than in Group 2. There was no significant difference between the groups in terms of TAS and TOS values of tumor edge and healthy thyroid tissue.

Conclusion: The oxidative stress values of tumor edge were significantly higher than the tumor core and healthy thyroid tissue values. The oxidative stress values of tumor edge and healthy thyroid tissue were significantly higher in malignant thyroid tumors compared to benign thyroid tumors.
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http://dx.doi.org/10.1007/s00405-020-06422-9DOI Listing
August 2021

Effect of isgin ( L.) on biochemical parameters, antioxidant activity and DNA damage in rats with obesity induced with high-calorie diet.

Arch Physiol Biochem 2020 Sep 12:1-9. Epub 2020 Sep 12.

Institute of Sciences, Medical Services and Techniques, Hakkari University, Hakkari, Turkey.

The present study was designed to investigate the effects of L. plant root extracts on DNA damage, biochemical and antioxidant parameters in rats with experimental obesity induced with a high-calorie diet. The study groups were divided as "normal control(NC)", "obese control(OC)", "obese + (OR1)(200 mg/kg)" and "obese + (OR2)(400 mg/kg)". At the end of the application, rats were sacrificed and blood and tissue samples were obtained. According to the results obtained, the marker of DNA damage in tissues of 8-OHdG was determined to be significantly reduced in brain tissue of the OR1 and OR2 groups compared to the NC group. However, fluctuations were identified in the MDA activity, antioxidant defense system elements and serum biomarkers in tissues. In conclusion, plant root extract ensured improvements in DNA damage in brain tissues and MDA levels and showed positive effects on antioxidant parameter activities in different tissues.
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http://dx.doi.org/10.1080/13813455.2020.1819338DOI Listing
September 2020

Antimicrobial and antiproliferative activity studies of some new quinoline-3-carbaldehyde hydrazone derivatives.

Bioorg Chem 2020 08 12;101:104014. Epub 2020 Jun 12.

Department of Medical Microbiology, Faculty of Medicine, Trakya University, Edirne, Turkey.

In this study, a total of 22 piece quinoline-3-carbaldehyde hydrazone derivative compounds were designed and synthesized, 2 of which were not original, their antimicrobial activities were determined with microdilution method and their in vitro cytotoxic effect was investigated in MCF-7 and A549 cells by MTT assay. When the activity results are examined, although the antimicrobial effects of quinoline derivatives, in general, are weaker than standard drugs; 3q5 and 3q6 against MRSA showed promising activity with MIC:16 µg/ml compared to reference drugs. Compounds generally showed weaker cytotoxic activity on the A549 and MCF-7 cell line. 3q12, 3q17 and 3q22 at 100 µM reduced cell viability to 59.28%, 76.24% and 72.92% on A549 cells, respectively. Compound 3q6, one of the most effective compounds against MRSA, formed a 2.10 Å long hydrogen bond between the quinoline nitrogen and ARG132 in the DNA topoisomerase IV active site (PDB: 3FV5). Theoretical ADME profiles of all compounds comply with Lipinski and other limiting rules. In addition, MEP analysis of 3q6, geometric optimization and molecular reactivity analysis were calculated with the 6-311G (d,p) base set DFT/B3LYP theory, and ΔE = E-E, which is a measure of the stable structure of the molecule, was calculated as 0.13377 for 3q6 and had the most stable electronic structure among all compounds.
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http://dx.doi.org/10.1016/j.bioorg.2020.104014DOI Listing
August 2020

Reduction of hepatorenal and pancreatic damage by extract in STZ induced diabetic rats.

Biotech Histochem 2021 Jan 12;96(1):28-40. Epub 2020 May 12.

Department of Pathology, Faculty of Veterinary Medicine, Van Yuzuncu Yil University , Van, Turkey.

The therapeutic potential and antioxidant capacity of extract (FE) in the liver, kidney and pancreas of rats with diabetes induced by streptozotocin (STZ) was assessed using biochemistry, histopathology and immunohistochemistry. Forty adult Wistar albino male rats were divided randomly into five groups of eight rats each. The normal control (NC) group was untreated. The diabetes control (DC) group was treated with STZ to induce diabetes. The diabetes + acarbose group (DAC) was treated with STZ, then with acarbose daily for 28 days. The diabetes + FE (DFE) group was treated with STZ, then FE daily for 28 days. DC rats had inflammatory cell infiltration, hydropic degeneration and necrosis, whereas the DFE rats exhibited nearly normal histology. Insulin immunostaining in the pancreatic beta cells was decreased in the DC group compared to the NC group, whereas the DFE group was similar to the NC group. Many serum biomarkers of damage to liver, kidneys or pancreas were elevated in the DC group compared to the NC group; these biomarkers were decreased in the DFE group. The DC group exhibited increased malondialdehyde levels and decreased levels of the antioxidant defense system constituents compared to the NC group. The level of biomarkers the DFE group was close to the NC group. FE exhibited a protective effect against tissue damage owing to its antioxidant activities and to its ability to effect regeneration of β-cells in STZ induced diabetic rats.
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http://dx.doi.org/10.1080/10520295.2020.1753239DOI Listing
January 2021

Design, synthesis, molecular docking, density functional theory and antimicrobial studies of some novel benzoxazole derivatives as structural bioisosteres of nucleotides.

J Biomol Struct Dyn 2021 Jun 13;39(9):3080-3091. Epub 2020 May 13.

Faculty of Pharmacy, Department of Pharmaceutical Microbiology, Trakya University, Edirne, Turkey.

A series of some novel 2-(-tert-butylphenyl)-5-(3-substituted-propionamido)benzoxazole derivatives have been designed, synthesized, evaluated for antimicrobial activity and have performed molecular docking studies against penicillin-binding protein 4 (PBP4) and active and allosteric site of PBP2a; were calculated some theoretical quantum parameters and absorption, distribution, metabolism and excretion (ADME) descriptors. acted at minimum inhibitory concentration (MIC) = 8 µg/mL against and their drug-resistant isolates and also formed with GLU145 (1.74 Å) and ILE144 (1.89 Å) two hydrogen bonds at allosteric site of PBP2a with Glide emodel score: -42.168. of compound had moderate value of all compounds with 0.14742.[Formula: see text]Communicated by Ramaswamy H. Sarma.
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http://dx.doi.org/10.1080/07391102.2020.1760134DOI Listing
June 2021

Consumption of the Syrian mesquite plant () fruit and seed lyophilized extracts may have both protective and toxic effects in STZ-induced diabetic rats.

Arch Physiol Biochem 2020 Mar 11:1-10. Epub 2020 Mar 11.

Faculty of Pharmacy, Department of Biochemistry, Van Yuzuncu Yil University, Van, Turkey.

The aim of study was to investigate the antidiabetic and antioxidant properties of extracts obtained from dried fruit and seeds against streptozotocin-induced diabetes in rats. According to the results, glucose, haemoglobin A1c, α-glycosidase activity, liver and kidney damage biomarkers, and malondialdehyde contents of all of the diabetic groups were found to have increased significantly according to the control group. Furthermore, the insulin and C-peptide secretions increased, and liver malondialdehyde level decreased, which were determined as the result of fluctuations in the antioxidant enzyme activities with a dose of 400 mg/kg fruit extract, while seed extract dosages of 100 and 400 mg/kg caused an increase in hepatic demage biomarkers. It was concluded that fruit extract may have insulin secretion stimulating and lipid peroxidation inhibitory effects, whereas seed extract might have caused hepatocyte damage changes to the transport functions and membrane permeability of these cells, thus causing enzymes to leak.
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http://dx.doi.org/10.1080/13813455.2020.1734844DOI Listing
March 2020

Investigation of healing effects of lemon ( seeds lyophilized extracts on experimental diabetic rats.

Arch Physiol Biochem 2019 Dec 12:1-8. Epub 2019 Dec 12.

Department of Molecular Biology and Genetics, Science Faculty, Van Yüzüncü Yıl University, Van, Turkey.

In this study, the effects of lemon seed lyophilised extract (LSLE) were investigated on the diabetic rats. Groups were conducted as normal control (NC), diabetic control (DC), diabetic + 20 mg acarbose/kg bw (DAC)), diabetic + 100 mg LSLE/kg bw (DLSLE1), diabetic + 200 LSLE mg/kg bw (DLSLE2) and diabetic + 400 LSLE mg/kg bw (DLSLE4). The protective and antioxsidant effects of LSLE on experimental diabetes complications were evaluated by measuring hepatic and renal damage biomarkers (HRDBs), antioxidant defence system constituents (ADSCs), diabetes biomarkers and MDA content in tissues of diabetic rats. Glucose, HRDBs, HbA1c, lipid profile (LP) levels increased in DC compared to NC whereas these parameters of the supplementation groups showed a significant decreas compared to DC. Also, it was determined an increase MDA content and fluctuate ADSCs in the DC tissues whereas the LSLE restored the parameters towards to the NC. It can be said that LSLE is may have healings effects against diabetic complications.
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http://dx.doi.org/10.1080/13813455.2019.1702061DOI Listing
December 2019

Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors.

Eur J Med Chem 2019 Jul 9;173:240-249. Epub 2019 Apr 9.

Ankara University, Faculty of Pharmacy, Department of Pharmacology, 06100, Tandoğan-Ankara, Turkey.

In this study, a series of benzimidazoles bearing thiosemicarbazide chain or triazole and thiadiazole rings were designed and synthesized. Crystal and molecular structure of the compound 5c has been characterized by single crystal X-ray crystallographic analysis. EGFR kinase inhibitory potencies of synthesized compounds were compared with erlotinib in vitro and most of the compounds exhibited significant activities. Cell culture studies were also carried out for selected compounds and 12b was found to be the most active compound. To understand the binding mode of synthesized benzimidazoles, three compounds (12b, 16, 16c) were selected and placed on the binding site of EGFR tyrosine kinase based on their kinase inhibitor potencies and cell culture studies. Docking study indicated that compound 12b showed two-hydrogen bonding interactions with residues of LYS721 and THR830 at the binding pocket.
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http://dx.doi.org/10.1016/j.ejmech.2019.04.012DOI Listing
July 2019

Prognostic factors for survival in patients with mucosal and ocular melanoma treated with ipilimumab: Turkish Oncology Group study.

J Oncol Pharm Pract 2020 Mar 29;26(2):267-272. Epub 2019 Mar 29.

Medical Oncology, Ankara University School of Medicine, Ankara, Turkey.

Objective: To evaluate prognostic factors associated with the use of ipilimumab in patients with mucosal and uveal melanoma.

Methods: In this multicenter, retrospective study, 31 patients with uveal and mucosal melanoma diagnosed between 2010 and 2017 were enrolled. Patients' characteristics, metastatic disease sites, treatment before ipilimumab therapy, performance status, hemoglobin, lactate dehydrogenase levels, B-RAF and c-kit mutation status, toxicity, and survival data were assessed for patients with mucosal and uveal melanoma. SPSS version 17 was used for statistical analysis. Kaplan-Meier method was used for survival analysis. The log-rank test was used for univariate analyses. The Cox regression analysis was used to test the association between multivariate variables and survival. The p-value of less than 0.05 was considered statistically significant.

Results: Twenty patients had uveal and eleven patients had mucosal melanoma. The median overall survival was seven months (95% confidence interval: 1.1-12.7). In univariate analysis, while bone metastasis, anemia, high lactate dehydrogenase level, and more metastatic sites were associated with lower overall survival, better treatment response and administration of ipilimumab in first or second lines were associated with favorable overall survival. In multivariate analysis, only treatment response status and administration of ipilimumab in first or second lines were found to be significant as independent prognostic factors for survival.

Conclusion: Ipilimumab therapy may be associated with increased survival, but this retrospective small N study makes that hard to definitely conclude.
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http://dx.doi.org/10.1177/1078155219840796DOI Listing
March 2020

Prognostic factors for survival in patients with metastatic malign melanoma treated with ipilimumab: Turkish Oncology Group study.

J Oncol Pharm Pract 2019 Oct 6;25(7):1658-1664. Epub 2018 Nov 6.

10 Medical Oncology, Acıbadem Mehmet Ali Aydınlar University School of Medicine, Istanbul, Turkey.

Purpose: Studies in the last decade show survival improvement with checkpoint blocker therapy in patients with metastatic malign melanoma. Our purpose was to define the efficacy of ipilimumab according to the patient's baseline characteristics including absolute lymphocytes count.

Methods: We collected the data of 97 patients with advanced malign melanoma treated with ipilimumab (3 mg/kg, q3w) retrospectively. Log-rank test was used to analyze the univariate effects of patient's characteristics (age, gender, metastatic sites, ECOG PS, type of melanoma, lactic dehydrogenase levels, anemia, lymphocytes (L), neutrophils (N), N/L ratio), c-kit and BRAF status. Survival analyses were estimated with Kaplan-Meier method. Cox regression analysis was used to assess the possible factors identified with log-rank test.

Results: The median age was 58, and 58% were male and 90% of patients had at least one prior systemic therapy. The median survival was 9.7 months for all patients; and the 12- and 24-month survival rates were 43% and 19%, respectively. Absolute lymphocytes count, lactic dehydrogenase level, bone metastasis, the number of metastatic sites, and RECIST response were significantly related to survival. After Cox regression analysis, RECIST response (complete or partial response), absolute lymphocytes count (more than 1500/mm) and the number of metastatic sites (less than three sites) remained as significant independent prognostic factors for longer survival.

Conclusion: Ipilimumab improved survival of patients with metastatic malign melanoma. However, patients with fewer metastatic sites and higher absolute lymphocytes count have a significantly better benefit. To determine if these markers could be used to direct patient therapy, further validation analysis is needed.
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http://dx.doi.org/10.1177/1078155218805539DOI Listing
October 2019

The role of ABO blood groups in glial neoplasms.

Br J Neurosurg 2019 Feb 4;33(1):43-46. Epub 2018 Nov 4.

b Radiation Oncology , Hacettepe University School of Medicine , Ankara , Turkey.

Introduction: There are numerous diseases that are claimed to have a correlation with AB0 blood groups. Analysis on distribution of blood groups in primary brain tumors and clinical value has revealed conflicting results. The purpose of this study is to evaluate the association between AB0 blood groups and glial neoplasms (GN) and their effects on prognosis.

Methods: A retrospective cross sectional study was performed. Patients admitted between 2000-2014 and had a diagnosis of GN were evaluated. Blood groups of patients were analyzed and compared with the National blood group data obtained from Turkish Red Crescent Society. The prognostic significance of AB0 blood groups was analyzed within glioblastoma multiforme (GBM), anaplastic astrocytoma and grade 1-2 astrocytoma.

Results: 759 patients with a diagnosis of glial neoplasia were evaluated. Distribution of AB0 blood groups in the different grades of Glial neoplasia was similar with the national blood group frequencies. There was not a statistically significant difference between grades of glial neoplasia and healthy control patients. Median overall survival (mOS) of GBM patients were 12.9 months in A (95% CI, 10.2-15.5), 13.4 months in B (95% CI, 7.3-19.5), 5.7 months in AB (95% CI, 0.8-10.6), 12.8 months in 0 blood groups (95% CI, 8.6-16.8) (p = .46). mOS of anaplastic astrocytoma patients were 24.4 months in A (95% CI, 15.2-33.6), 47.2 months in B (95% CI, 9.9-84.5), 37.8 months in AB (95% CI, 10.2-80.3), 29.2 months in 0 blood groups (95% CI, 21.2-33.4) (p = .96). mOS in grade 1-2 were 84.2, 90.6 and 144 months for A, AB and 0 blood groups respectively.

Conclusions: In our patient group, when compared with general population, there seems to be no association between frequencies of AB0 blood groups and Glial Neoplasia. In addition, the AB0 blood groups have no prognostic impact on glial neoplasms.
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http://dx.doi.org/10.1080/02688697.2018.1522415DOI Listing
February 2019

The therapeutics effects and toxic risk of Desf. extract on streptozotocin-induced diabetic rats.

Toxicol Rep 2018 3;5:919-926. Epub 2018 Aug 3.

Department of Molecular Biology and Genetics, Science Faculty, Van Yuzuncu Yil University, Van, Turkey.

There is an increasing interest against to fight of diabetes by using hypoglycemic plants in the world. The public thinks that (HP) has antidiabetic effect local consumer in Turkey. As far as our literature survey, no studies have been reported so far on antidiabetic effects and toxic risk potential of the HP lyophilized extract supplementation used in this study. The aim of this study, for the first time, was to investigate the therapeutic effects of diabetic complications, antioxidant properties and toxic risk potential of HP against experimentaly streptozotocin (STZ) induced diabetes in rats, which were evaluated by measuring the level of serum biomarker releated diabetes complications changes such glucose, insülin, c-peptide, lipid profile (LP), hepatic and renal damage biomarkers (HRDB), glucosylated hemoglobin (HbA1c), antioxidant defense system constituents (ADSCs), malondialdehyde (MDA) content measured in erythrocyte, brain, kidney and liver tissues, and α-glucosidase activitiy of small intestine. The plant aqueous extract was allowed to freeze-dried under a vacuum at -54 °C to obtain a fine lyophilized extract. The study was performed on STZ-induced diabetic rats (45 mg/kg, body weight (bw), intraperitonally) designed as normal control (NC), diabetic control (DC), diabetes + acarbose (DAC) (20 mg/kg, bw), diabetes + HP (100 mg/kg, bw) (DH1), diabetes + HP (200 mg/kg, bw) (DH2) and diabetes + HP (400 mg/kg, bw) (DH3)] groups. The experimental process lasted 21 days. According to results; the levels of blood glucose (BG), glucosylated hemoglobin (HbA1c) and malondialdehyde (MDA) of DC group increased significantly (<0.05) compared to NC group, whereas these parameters of the groups treated with oral administrations of HP plant lyophilized extract were observed significant (<0.05) declines compared to DC. The biochemical analyses showed a considerable decrease in insulin and c-peptide levels and the fluctuated ADSCs in the DC group as compared to control group, whereas the extract supplementations diet restored the diabetic complications parameters towards to the NC. On the other hands, liver damage serum enzymes as serum aspartate aminotransferase (AST) and alanine aminotransferase (ALT) levels were incressed significantly (<0.05) in the plant extract supplementations groups as compared to NC and DC groups. It was concluded that while the extracts of HP have had therapeutic effects on some complications caused by diabetes, but might be caused hepatocyte damage changes as the transport functions and membrane permeability of these cells, thus causing enzymes to leak.
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http://dx.doi.org/10.1016/j.toxrep.2018.08.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6138785PMC
August 2018

Investigation of the protective effects of horse mushroom (Agaricus arvensis Schaeff.) against carbon tetrachloride-induced oxidative stress in rats.

Mol Biol Rep 2018 Oct 21;45(5):787-797. Epub 2018 Jun 21.

Department of Secondary Science and Mathematics Education, Faculty of Education, Ordu University, 52200, Ordu, Turkey.

Wild and cultured mushrooms have been extensively used for food and medicinal purposes all around the world. However, there is limited information on chemical composition, health enhancing effects and contributions on diet of some mushrooms (e.g., Agaricus arvensis) widely distributed in many countries including United Kingdom, Australia, Turkey etc. Therefore, the present study was aimed to analyse the bioactive composition and ameliorative effects of A. arvensis via evaluating in vitro and in vivo antioxidant properties in CCl induced rat model. The extract exhibited higher antioxidant capacities in vitro than that of the positive control (Reishi-Shiitake-Maitake standardized extract). Administration of the extract had significant regulative effects in the levels of AST, ALT, LDH, Urea and TRIG levels according to CCl group. Additionally, lipid peroxidation and GSH in the brain, kidney and liver tissues was regulated by extract treated groups compared to the CCI group. The supplementation of the extract at the dose of 100 mg/kg regulated the levels of GST, GR, CAT and GPx enzyme activities in brain and liver, but not in kidney tissue. There was approximately three fold increase in CAT enzyme activity in kidney tissue of extract treated groups compared to Control and CCl groups. The extract contained a rich composition of bioactive compounds including phenolics (protocatechuic acid and p-hydroxybenzoic acid), volatile compounds (benzaldehyde, palmitic acid and linoleic acid) and mineral compounds (K, Si, Mg and Na). Data obtained within this study suggests that A. arvensis might be used for food industries in order to obtain nutritional products.
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http://dx.doi.org/10.1007/s11033-018-4218-4DOI Listing
October 2018

Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from .

Acta Crystallogr E Crystallogr Commun 2018 May 27;74(Pt 5):713-717. Epub 2018 Apr 27.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

The title compound, CHO (systematic name: 3-ethenyl-3,4a,7,7,10a-penta-methyl-dodeca-hydro-9-benzo[]chromen-9-one), was isolated from . In the crystal, mol-ecules pack in helical supra-molecular chains along the 2 screw axis running parallel to the axis, bound by C-H⋯O hydrogen bonds. These chains are efficiently inter-locked in the other two unit-cell directions van der Waals inter-actions. Hirshfeld surface analysis shows that van der Waals inter-actions constitute the major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 86.0% of the surface.
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http://dx.doi.org/10.1107/S2056989018005807DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947494PMC
May 2018

Crystal structure of 3,4a,7,7,10a-penta-methyl-3-vinyl-dodeca-hydro-1-benzo[]chromen-9-ol isolated from .

Acta Crystallogr E Crystallogr Commun 2016 Oct 5;72(Pt 10):1380-1382. Epub 2016 Sep 5.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

The asymmetric unit of the title compound, CHO, contains two crystallographically independent mol-ecules (1 and 2) with similar conformations. In both mol-ecules, the cyclo-hexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O-H⋯O hydrogen bonds connect adjacent mol-ecules, forming (6) helical chains located around a 2 screw axis and running along the crystallographic axis. The packing of these chains is governed only by van der Waals inter-actions. Semi-empirical quantum chemical calculations are in a satisfactory agreement with the structural results of the X-ray structure analysis. The absolute structure was indeterminate in the present experiment.
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http://dx.doi.org/10.1107/S2056989016013864DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050758PMC
October 2016

Erratum: Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis-(furan-2-yl)-4-hy-droxy-4-(thio-phen-2-yl)cyclo-hexane-1,3-di-yl]bis-(thio-phen-2-yl-methanone). Corrigendum.

Acta Crystallogr E Crystallogr Commun 2016 Aug 29;72(Pt 8):1228. Epub 2016 Jul 29.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

[This corrects the article DOI: 10.1107/S2056989016009452.].
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http://dx.doi.org/10.1107/S2056989016011452DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971879PMC
August 2016

Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis-(furan-2-yl)-4-hy-droxy-4-(thio-phen-2-yl)cyclo-hexane-1,3-di-yl]bis-(thio-phen-2-yl-methanone).

Acta Crystallogr E Crystallogr Commun 2016 Jul 17;72(Pt 7):976-9. Epub 2016 Jun 17.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

In the title compound, C28H22O5S3, the central cyclo-hexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclo-hexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hy-droxy group is disordered over two positions (at the 4- and 6-positions of the cyclo-hexane ring) in the ratio 0.832 (5):0.168 (5). In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers parallel to (100).
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http://dx.doi.org/10.1107/S2056989016009452DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992919PMC
July 2016

Histopathological and biochemical investigations of protective role of honey in rats with experimental aflatoxicosis.

BMC Complement Altern Med 2016 Jul 21;16:232. Epub 2016 Jul 21.

Department of Biology, Faculty of Sciences and Letters, Yuzuncu Yil University, Van, Turkey.

Background: Natural honey (honey) is considered as a part of traditional medicine all over the world. It has both antimicrobial and antioxidant properties, useful in stimulation of wounds and burns healing and gastric ulcers treatment. The aim of this study, for the first time, was to investigate the antioxidant properties and protective role of honey against carcinogen chemical aflatoxin (AF) exposure in rats, which were evaluated by histopathological changes in liver and kidney, measuring level of serum marker enzymes [aspartate aminotransferase (AST), alanin aminotransferase (ALT), gamma glutamil transpeptidase (GGT)], antioxidant defense systems [Reduced glutathione (GSH), glutathione reductase (GR), superoxide dismutase (SOD), glutathione-S-transferase (GST) and catalase (CAT)], and lipid peroxidation content in liver, erythrocyte, brain, kidney, heart and lungs.

Methods: Eighteen healthy Sprague-Dawley rats were randomly allocated into three experimental groups: A (Control), B (AF-treated) and C (AF + honey-treated). While rats in group A were fed with a diet without AF, B, and C groups received 25 μg of AF/rat/day, where C group additionally received 1 mL/kg of honey by gavage for 90 days.

Results: At the end of the 90-day experimental period, we found that the honey supplementation decreased the lipid peroxidation and the levels of enzyme associated with liver damage, increased enzymatic and non-enzymatic antioxidants in the AF + honey-treated rats. Hepatoprotective and nephroprotective effects of honey is further substantiated by showing almost normal histological architecture in AF + honey-treated group, compared to degenerative changes in the liver and kidney of AF-treated rats. Additionally, honey supplementation ameliorated antioxidant defens systems and lipid peroxidation in content in other tissues of AF + honey treated rats.

Conclusion: The present study indicates that honey has a hepatoprotective and nephroprotective effect in rats with experimental aflatoxicosis due to its antioxidant activity.
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http://dx.doi.org/10.1186/s12906-016-1217-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4955256PMC
July 2016

Antioxidant and hepatoprotective properties of dried fig against oxidative stress and hepatotoxicity in rats.

Int J Biol Macromol 2016 Oct 5;91:554-9. Epub 2016 Jun 5.

Department of Molecular Biology and Genetic; Science Faculty, Yuzuncu Yil University, Van, Turkey. Electronic address:

The aim of this study was to investigate the hepatoprotective effect and antioxidant role of dried fig (DF) (Ficus carica L.) against ethanol-induced oxidative stress. Experiment was designed as normal Control, 20% ethanol, 10% DF and 10% DF+20% ethanol groups. The hepatoprotective and antioxidant role of the dried DF supplementation feed against ethanol induced oxidatif stress were evaluated by liver histopathological changes, measuring liver damage serum enzymes (LDSE), antioxidant defense system (ADS) and malondialdehyde (MDA) content in various tissues of rats following the exposure of experimental for 50days. The biochemical analysis showed a considerable increase the LDSE in the ethanol group as compared to that of control group whereas, decreased in 10% DF+20% ethanol group as compared to that of ethanol group. In addition, the DF supplementation diet restored the ethanol-induced MDA and ADS towards to control. The hepatoprotection of DF is further substantiated by the almost normal histologic findings of liver in 10% DF+20% ethanol group against degenerative changes in ethanol group. The results indicated that the DF could be as important as diet-derived antioxidants and antihepatotoxicity in preventing oxidative damage in the tissues by inhibiting the production of ethanol-induced free radicals and hepatotoxicity in rats.
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http://dx.doi.org/10.1016/j.ijbiomac.2016.06.009DOI Listing
October 2016
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