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Turkish Journal of Chemistry

Journal

2022

Molecular docking

Articles 1 - 6 of 6

Full-Text Articles in Physical Sciences and Mathematics

Synthesis, Molecular Modeling, And Biological Evaluation Of Novel Imatinib Derivatives Asanticancer Agents, Fulya Günay, Sevcan Balta, Yuk Yin Ng, Özlem Ulucan Açan, Zühal Turgut, Ömer Tahi̇r Günkara Jan 2022

Synthesis, Molecular Modeling, And Biological Evaluation Of Novel Imatinib Derivatives Asanticancer Agents, Fulya Günay, Sevcan Balta, Yuk Yin Ng, Özlem Ulucan Açan, Zühal Turgut, Ömer Tahi̇r Günkara

Turkish Journal of Chemistry

Different derivatives of imatinib were synthesized by a 3-step reaction method. The structures of the new compounds were characterized by spectroscopic methods. For quantitative evaluation of the biological activity of the compounds, MTT assays were performed, where four BCR-ABL negative leukemic cell lines (Jurkat, Reh, Nalm-6 and Molt-4), one BCR-ABL positive cell line (K562), and one non-leukemic cell line (Hek293T) were incubated with various concentrations of the derivatives. Although imatinib was specifically designed for the BCR-ABL protein, our results showed that it was also effective on BCR-ABL negative cell lines except for Reh cell line. Compound 9 showed lowest IC50 …


Synthesis Of Benzoyl Hydrazones Having 4-Hydroxy-3,5-Dimethoxy Phenyl Ring, Theirbiological Activities, And Molecular Modeling Studies On Enzyme Inhibition Activities, Bedri̇ye Seda Kurşun Aktar, Yusuf Sicak, Gi̇zem Tatar, Emi̇ne Elçi̇n Emre Jan 2022

Synthesis Of Benzoyl Hydrazones Having 4-Hydroxy-3,5-Dimethoxy Phenyl Ring, Theirbiological Activities, And Molecular Modeling Studies On Enzyme Inhibition Activities, Bedri̇ye Seda Kurşun Aktar, Yusuf Sicak, Gi̇zem Tatar, Emi̇ne Elçi̇n Emre

Turkish Journal of Chemistry

Hydrazone compounds have high capacity in terms of antioxidant activity and enzyme inhibition activities such as anticholinesterase, tyrosinase, and urease. In this study, benzoyl hydrazones compounds (7a-7m) were synthesized starting from 3,5-dimethoxy-4-hydroxybenzaldehyde. Antioxidant activity of the synthesized compounds was evaluated. In the β-carotene-linoleic acid and ABTS cation radical scavenging activities, compounds 7j, 7e, and 7m stood out as the most active compounds, respectively. In the anticholinesterase enzyme inhibition activity results, compound 7f exhibited the best activity against AChE and BChE enzymes in the synthesis series. In addition, molecular docking analysis was performed to understand the inhibition mechanism of the synthesized …


Synthesis, Antioxidant Activity, Molecular Docking And Adme Studies Of Novel Pyrrolebenzimidazolederivatives, Fi̇kri̇ye Zengi̇n Karadayi, Rahman Başaran, Mehmet Murat Kişla, Bi̇nay Eke, Zeynep Alagöz Jan 2022

Synthesis, Antioxidant Activity, Molecular Docking And Adme Studies Of Novel Pyrrolebenzimidazolederivatives, Fi̇kri̇ye Zengi̇n Karadayi, Rahman Başaran, Mehmet Murat Kişla, Bi̇nay Eke, Zeynep Alagöz

Turkish Journal of Chemistry

Several 5-(alkylsulfonyl)-1-substituted-2-(1H-pyrrol-2-yl)-1H-benzo[d]imidazole derivatives were synthesized and their antioxidant activities were investigated using lipid peroxidation (LPO) and 7-ethoxyresorufin O-deethylase (EROD) assays. Docking analysis with Human NAD[P]H-Quinone oxidoreductase 1 (NQO1) was also performed to gather thorough information about these compounds that have antioxidant activities. Moreover, their molecular descriptors and ADME properties were calculated using the SwissADME online program. As a result, most of our compounds possessed better affinity and created ample interactions with NQO1. The most potent compound 5j had LP inhibition value of 3.73 nmol/mg/min. Other compounds exhibited moderate activity on LP levels comparing to standard butylated hydroxy toluene (BHT). However, …


Synthesis Of Polydentate, Multi Metal Ion Sensing, Unsymmetrical Schiff Bases With Complimented Antifungal Activity, Saranya Dhasarathan, Selvaraj Shunmugaperumal, P. Kamatchi Selvaraj Jan 2022

Synthesis Of Polydentate, Multi Metal Ion Sensing, Unsymmetrical Schiff Bases With Complimented Antifungal Activity, Saranya Dhasarathan, Selvaraj Shunmugaperumal, P. Kamatchi Selvaraj

Turkish Journal of Chemistry

Polydentate, unsymmetrical, and multi metal ion sensing Schiff bases comprised of ferrocenecarboxaldehyde attached azomethine group at one side and aromatic aldehyde linked imine on the other side have been synthesized. Cumulative addition of different metal salts solution to receptors solution, changes the electronic spectra contrarily and for the addition of Cu2+ ions, generation of MLCT charge transfer band responsible for the coordination of metal ion with a receptor is observed. Electrochemical data (ΔEp) arrived from the cyclic voltammograms suggest a quasi-reversible process. The modest concentration of metal ions required for effective sensing by the sensory material is calculated from the …


Comprehensive Evaluation Of Reseda Lutea L. (Wild Mignonette) And 7 Isolated Flavonol Glycosides: Determination Of Antioxidant Activity, Anti-Alzheimer, Antidiabetic And Cytotoxic Effects With In Vitro And In Silico Methods, Hati̇ce Kiziltaş Jan 2022

Comprehensive Evaluation Of Reseda Lutea L. (Wild Mignonette) And 7 Isolated Flavonol Glycosides: Determination Of Antioxidant Activity, Anti-Alzheimer, Antidiabetic And Cytotoxic Effects With In Vitro And In Silico Methods, Hati̇ce Kiziltaş

Turkish Journal of Chemistry

In this study, anticholinergic, antidiabetic, antioxidant and cytotoxic activities of Reseda lutea L. (R. lutea) were determined. Ethanol extracts of R. lutea (EERL) and water extract of R. lutea (WERL) were prepared for biochemical analysis. The antioxidant capacities of EERL and WERL were evaluated with 6 different methods. In addition, acetylcholinesterase (AChE), α-amylase and α-glycosidase enzyme inhibition by EERL were measured. According to the results, EERL exhibited high inhibition effects against α-amylase, α-glycosidase and AChE enzymes. The IC50 values of EERL against AChE (2.21 μg/mL), α-glycosidase (1.38 μg/mL), and α-amylase (0.11 μg/mL) were determined. Also, high cytotoxic effect of EERL …


Determination Of Essential Oil And Biological Activities Of Hypericum Ternatum Poulter And H. Scabrum L. Species Collected From Different Localities: Is H. Scabrum An Alternative To Multifunctional Species St John's Wort (H. Perforatum)?, Mehmet Akdeni̇z, İsmai̇l Yener, Sevgi̇ İrtegün Kandemi̇r, Şafak Özhan Kocakaya, Mehmet Firat, Serkan Yi̇ği̇tkan, Nesri̇n Haşi̇mi̇ Besen, Abdulselam Ertaş, Ufuk Kolak Jan 2022

Determination Of Essential Oil And Biological Activities Of Hypericum Ternatum Poulter And H. Scabrum L. Species Collected From Different Localities: Is H. Scabrum An Alternative To Multifunctional Species St John's Wort (H. Perforatum)?, Mehmet Akdeni̇z, İsmai̇l Yener, Sevgi̇ İrtegün Kandemi̇r, Şafak Özhan Kocakaya, Mehmet Firat, Serkan Yi̇ği̇tkan, Nesri̇n Haşi̇mi̇ Besen, Abdulselam Ertaş, Ufuk Kolak

Turkish Journal of Chemistry

The importance of Hypericum L. species, being used in traditional medicine, in the scientific world is increasing day by day. Hypericum species are plants that have been used in the treatment of many diseases for a long time and have healing properties. In the current study, the essential oil compositions of Hypericum scabrum L. and H. ternatum Poulter collected from different localities in Turkey were determined by GC-MS/FID. In addition, their antioxidant, cytotoxic, and antimicrobial activities with their enzyme inhibitory potentials (cholinesterase, urease, tyrosinase, elastase, and collagenase) were investigated. Also, in vitro and in silico studies of the major components …