WoS İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.14627/6
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Article Design and Synthesis of Thiosemicarbazides and 1,2,4-Triazoles Derived From Ibuprofen as Potential Metap (Type II) Inhibitors(Elsevier Ireland Ltd, 2025) Yilmaz, Ozgur; Biliz, Yagmur; Ayan, Sumeyra; Cevik, Ozge; Karahasanoglu, Mufide; Cotuker, Reyhan; Kucukguzel, S. GunizIn the present study, a range of novel thiosemicarbazides 4a-i and 1,2,4-triazoles 5a-i derived from ibuprofen, were synthesized. Structural elucidation of these synthesized compounds was performed utilizing a variety of spectroscopic methods, including FTIR, 1H NMR, 13C NMR and HR-MS. The synthesized compounds were tested for cytotoxicity in five different cancer cell lines (cervical cancer (HeLa), human breast cancer (MCF-7), human gastric adenocarcinoma (MKN-45), human metastatic prostate cancer (PC3) and human glioblastoma (U87)). The compounds were compared with healthy cells (NIH-3T3) and the most effective compounds were determined by means of the selectivity index. Thiosemicarbazides derived form ibuprofen 4i and 4d showed anticancer activity, while 1,2,4-triazoles derived form ibuprofen 5b, 5c, 5d, 5e, 5h, 5g showed anticancer activity in HeLa, MCF-7, MKN-45, PC3 and U87 cells. To test the stability of the protein-drug complexes all 18 compounds 4a-i and 5a-i were docked into the active site of the MetAP2 enzyme In general, computational inhibition constants values were correlated with the experimental values. The dynamic behavior of MetAP2-inhibitor complexes was analyzed using all atoms Molecular Dynamic (MD) simulations for 200 ns duration. MD revealed that the drugs bind in the active center of MetAP2 with stable RMSD and RMSF. In conclusion, in-silico results and in-vitro studies suggests that thiosemicarbazides and 1,2,4-triazoles derived from ibuprofen may be novel anticancer drug candidates for treating cervical, breast, prostate, gastric and glioblastoma. Compounds provided induction of apoptotic proteins in the cell by inhibiting MetAP2 enzyme. Furthermore, the potential antioxidant activities of the compounds were evaluated using the 2,2-Diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity assay. Among the compounds tested, 4a, 4b, 4e, 4f, 4h, and 4i exhibited values closely resembling the DPPH activity of the standards.Article Citation - WoS: 4Citation - Scopus: 4Determination of Chemical Composition and Antioxidant, Cytotoxic, Antimicrobial, and Enzyme Inhibition Activities of <i>rumex Acetosella</I> L. Plant Extract(Springer int Publ Ag, 2024) Kandemir, Sevgi Irtegun; Aktepe, Necmettin; Baran, Ayse; Baran, Mehmet Firat; Atalar, Mehmet Nuri; Keskin, Cumali; Khalilov, Rovshan; Irtegün Kandemir, SevgiPurpose The phenolic composition, antioxidant, antimicrobial activity, enzyme inhibition activity, and cytotoxic activity potentials of the plant Rumex acetosella L. (R. acetosella) were examined in this study. Materials and Methods: The chemical composition of R. acetosella methanol extract was identified by the LC-MS/MS method. The antioxidant activity was tested using beta-carotene/linoleic acid, DPPH free radical scavenging, ABTS cation radical scavenging, CUPRAC reducing power, and metal chelating activity methods. The cytotoxic activity was determined by the MTT assay using human ovarian adenocarcinoma (Skov-3), glioblastoma (U87), human dermal fibroblasts (HDF), and human colorectal adenocarcinoma (CaCo-2) cell lines. The antimicrobial activity of methanolic extracts was tested on gram-negative (Escherichia coli and Pseudomonas aeuriginosa) and gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) using the in vitro minimum inhibition concentration method (MIC). Enzyme inhibition activity of R. acetosella methanol extract was measured spectrophotometrically against acetylcholinesterase (AChE) and glutathione S-transferase (GST) enzymes. Results: The findings showed that the major components of the methanol extract content were luteolin-7-O-glucoside (1.599 m/L), polydatin (91,024 m/L), and shikimic acid (0.773 m/L). It was determined that the extract and standard antioxidant (a-tocopherol) results in DPPH center dot, and ABTS center dot + tests performed to determine the antioxidant activity were close to each other, and this value was more effective than the standard antioxidant (alpha-tocopherol) in the CUPRAC test. These results suggested that the plant's antioxidant potential was higher when compared with reference antioxidant compounds. It was determined that the methanol extract of R. acetosella had a weaker effect on the growth of the tested microorganisms than the antibiotics used as standard. The activity of the GST and AChE enzymes was found to be severely inhibited by the methanol extract of R. acetosella. Conclusion: Based on these findings, R. acetosella L. is a medicinal and commercially beneficial plant that warrants further investigation.Review Citation - WoS: 15Citation - Scopus: 11Thioethers: an Overview(Bentham Science Publ Ltd, 2022) Han, M. Ihsan; Kucukguzel, S. GunizSpreading rapidly in recent years, cancer has become one of the causes of the highest mortality rates after cardiovascular diseases. The reason for cancer development is still not clearly understood despite enormous research activities in this area. Scientists are now working on the biology of cancer, especially on the root cause of cancer development. The aim is to treat the cancer disease and thus cure the patients. The continuing efforts for the development of novel molecules as potential anti-cancer agents are essential for this purpose. The main aim of this review was to present a survey on the medicinal chemistry of thioethers and provide practical data on their cytotoxicities against various cancer cell lines. The research articles published between 2001-2020 were consulted to prepare this review article; however, patent literature has not been included. The thioether-containing heterocyclic compounds may emerge as a new class of potent and effective anti-cancer agents in the future.