All Stories

  1. New N-Benzoylthiourea-pyrrolidine-based Copper(II) complexes as anticancer agents

    Article • Journal of Molecular Structure, August 2026, Elsevier

    Prof. Dr Tugba Taskin-Tok

  2. Synthesis and comprehensive evaluation of new spiro-dimedone derivatives as cholinesterase and α-glycosidase inhibitors: X-ray crystallography, in vitro assays, and integrated molecular docking, dynamics, and ADME analysis

    Article • Journal of Molecular Structure, August 2026, Elsevier

    Prof. Dr Tugba Taskin-Tok

  3. Novel ruthenium(II)oxothiazolidine complexes: Design, synthesis, characterization, DNA binding and anticancer activity

    Article • Journal of Molecular Structure, February 2026, Elsevier

    Prof. Dr Tugba Taskin-Tok

  4. A dual- enzyme targeted approach: Flurbiprofen-linked 1,2,4-triazole-3-thione schiff bases against acetylcholinesterase and α-glucosidase

    Article • Journal of Molecular Structure, February 2026, Elsevier

    Prof. Dr Tugba Taskin-Tok

  5. Design and evaluation of ester-containing PEPPSI Type Pd(II)NHC complexes as multitarget enzyme inhibitors

    Article • Journal of Molecular Structure, January 2026, Elsevier

    Prof. Dr Tugba Taskin-Tok

  6. Water-soluble metallophthalocyanines bearing 1-naphthoxy-4-sulfonic acid sodium salts: Sono-Photochemical and enzyme inhibition potential with molecular docking analysis

    Article • Journal of Molecular Structure, December 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  7. In silico multitargeted molecular docking study of interacting partners of epibrassinolide in cancer cells and in vitro evaluation of cell death mechanisms associated with these partners

    Article • The Journal of Steroid Biochemistry and Molecular Biology, November 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  8. Pyrrolidine-based hybrid compounds: design, synthesis, in vitro and in vivo pharmacological properties and molecular docking studies

    Article • Future Medicinal Chemistry, September 2025, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  9. 5(6)‐Benzoyl‐Substituted Benzimidazoles and Their Benzimidazolium Salts: Design, Synthesis, Characterization, Crystal Structure, and Some Metabolic Enzymes Inhibition Properties

    Article • Archiv der Pharmazie, July 2025, Wiley

    Prof. Dr Tugba Taskin-Tok

  10. Imidazol‐2‐Ylidene‐Silver(I) Complexes Bearing 4‐Acetylphenyl Side Arm: Design, Synthesis, Characterization, Crystal Structure, and Inhibitory Properties Against Some Metabolic Enzymes

    Article • Applied Organometallic Chemistry, June 2025, Wiley

    Prof. Dr Tugba Taskin-Tok

  11. Synthesis of N-heterocyclic carbene‑selenium complexes modulating apoptosis and autophagy in cancer cells: Probing the interactions with biomolecules and enzymes

    Article • Bioorganic Chemistry, June 2025, Elsevier

    Dr Ching Kheng Quah, Prof. Dr Tugba Taskin-Tok

  12. Bis(azo‐mine) Based Transition Metal Complexes: Synthesis, Spectroscopy, DNA Binding, Docking Studies, and α‐Glucosidase Inhibition Activity

    Article • Applied Organometallic Chemistry, May 2025, Wiley

    Prof. Dr Tugba Taskin-Tok

  13. Ruthenium(II) p-cymene complexes bearing amine-functionalized N-heterocyclic carbenes: Synthesis, characterization, in silico and enzyme inhibition studies

    Article • Polyhedron, April 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  14. Design, synthesis, and biological evaluation of 3-phenylimidazo[1,2-a]pyridine derivatives as diverse enzyme inhibitors

    Article • Journal of the Iranian Chemical Society, February 2025, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  15. Benzimidazolium salts bearing ester group: Synthesis, characterization, crystal structure, molecular docking studies, and inhibitory properties against metabolic enzymes

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  16. Synthesis of a BODIPY-quinoline dyad probe and studies of its biophysical interactions with fibrinogen/HSA by spectral and computational methods

    Article • Journal of Photochemistry and Photobiology A Chemistry, February 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  17. 2-amino-6-ethoxy-4-arylpyridine-3,5-dicarbonitrile Scaffolds as potential acetylcholinesterase and butyrylcholinesterase inhibitors

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  18. Chiral thioureas containing naphthalene moiety as selective butyrylcholinesterase inhibitors: Design, synthesis, cholinesterase inhibition activity and molecular docking studies

    Article • Journal of Molecular Structure, January 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  19. N-Tosylated carbazole derivatives: Spectroscopic and computational insights into DNA and protein interactions

    Article • January 2025, Elsevier

    Prof. Dr Tugba Taskin-Tok

  20. Synthesis of zinc phthalocyanine containing 1,2-phenylene bis(3-chloropropanoate) substituted groups and investigation of their metabolic enzyme inhibitory effects

    Article • Polyhedron, December 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  21. Novel composite structures based on cobalt phthalocyanine/graphene oxide: Identification of potential drug candidates to treat Alzheimer’s disease and diabetes

    Article • Inorganica Chimica Acta, September 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  22. Aptamer biosensor design for the detection of endocrine-disrupting chemicals small organic molecules using novel bioinformatics methods

    Article • Journal of Molecular Graphics and Modelling, September 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  23. Synthesis, fluorescence, enzymes effects, and evaluation of tetrahydroxy substituted zinc phthalocyanine as multitarget metabolic enzyme inhibitors with molecular docking: the biochemistry-oriented drug design

    Article • Journal of the Iranian Chemical Society, August 2024, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  24. Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole

    Article • Journal of Molecular Structure, August 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  25. Fluorescence Studies on the Binding Affinity and Determination of Vitamin B12 in the Presence of Fibrinogen

    Article • Journal of Fluorescence, July 2024, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  26. Synthesis, characterization, crystal structure, biological activities, and molecular docking study of the (NHC)Pd(II)(Morp) (NHC: N-heterocyclic carbene, Morp: Morpholine) complexes

    Article • Polyhedron, July 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  27. Synthesis, characterization, DNA interaction, molecular docking, and α‐glucosidase inhibition studies of 3‐(pyrimidin‐2‐ylthio) groups substituted water soluble zinc (II) phthalocyanine

    Article • Applied Organometallic Chemistry, June 2024, Wiley

    Prof. Dr Tugba Taskin-Tok

  28. Fluorescence studies on the binding affinity and determination of vitamin B12 in the presence of fibrinogen

    Article • June 2024, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  29. Nanodiamonds and natural deep eutectic solvents as potential carriers for lipase

    Article • International Journal of Biological Macromolecules, June 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  30. Synthesis of zinc phthalocyanine complex containing tetra propanoic acid groups: Electronic properties and inhibitory effects on some metabolic enzymes

    Article • Journal of Molecular Structure, June 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  31. Bisbenzimidazole salts and their in silico–in vitro inhibitory abilities on hCA I, hCA II, and AChE enzymes

    Article • Monatshefte für Chemie - Chemical Monthly, May 2024, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  32. Design, Synthesis, and In Silico and In Vitro Cytotoxic Activities of Novel Isoniazid–Hydrazone Analogues Linked to Fluorinated Sulfonate Esters

    Article • ACS Omega, April 2024, American Chemical Society (ACS)

    Prof. Dr Tugba Taskin-Tok

  33. Synthesis, characterization, DNA interaction, molecular docking, and α-amylase and α-glucosidase inhibition studies of a water soluble Zn(ii) phthalocyanine

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Prof. Dr Tugba Taskin-Tok

  34. 2-Amino-6-ethoxy-4-arylpyridine-3,5-dicarbonitrile Scaffolds as Potential Acetylcholinesterase and Butyrylcholinesterase Inhibitors

    Article • January 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  35. Synthesis of a Bodipy-Quinoline Dyad Probe and Studies of its Biophysical Interactions with Fibrinogen/Hsa by Spectral and Computational Methods

    Article • January 2024, Elsevier

    Prof. Dr Tugba Taskin-Tok

  36. The synthesis, carbonic anhydrase and acetylcholinesterase inhibition effects of sulfonyl chloride moiety containing oxazolidinones using an intramolecular aza-Michael addition

    Article • Journal of Biomolecular Structure and Dynamics, December 2023, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  37. Benzimidazolium Salts Bearing Nitrile Moieties: Synthesis, Enzyme Inhibition Profiling, and Molecular Docking Analysis for Carbonic Anhydrase and Acetylcholinesterase

    Article • Chemistry & Biodiversity, November 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  38. Computational studies of closely related 2-cyanopyrimidine, pyrimidine-2-carboximidamide and 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine with a potency against SARS-CoV-2

    Article • Monatshefte für Chemie - Chemical Monthly, November 2023, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  39. New palladium complexes with N‐heterocyclic carbene and morpholine ligands: Synthesis, characterization, crystal structure, molecular docking, and biological activities

    Article • Journal of Biochemical and Molecular Toxicology, October 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  40. New Coumarin−Thiosemicarbazone Based Zn(II), Ni(II) and Co(II) Metal Complexes: Investigation of Cholinesterase, α‐Amylase, and α‐Glucosidase Enzyme Activities, and Molecular Docking Studies

    Article • ChemistrySelect, October 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  41. Design, Synthesis, Pharmacological Activities, Structure–Activity Relationship, and In Silico Studies of Novel 5-Substituted-2-(morpholinoimino)-thiazolidin-4-ones

    Article • ACS Omega, October 2023, American Chemical Society (ACS)

    Prof.Dr. Emine Elçin Oruç Emre, Prof. Dr Tugba Taskin-Tok

  42. Evaluation of the Binding Properties of A New Phenylurea Appended Carbazole Compound to Pepsin/Trypsin by Computational and Multi-Spectral Analysis

    Article • Journal of Fluorescence, October 2023, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  43. N-Heterocyclic Compounds, In silico Molecular Docking Studies, and In vitro Enzyme Inhibition Effect against Acetylcholinesterase Inhibitors

    Article • Current Topics in Medicinal Chemistry, October 2023, Bentham Science Publishers

    Prof. Dr Tugba Taskin-Tok

  44. Deciphering of Biophysical Interaction of Calf Thymus DNA with a Sulfa Drug: Spectroscopic and Molecular Docking Study

    Article • Iranian Journal of Science, September 2023, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  45. Synthesis of 1,4-disubstituted-1,2,3-Triazole derivatives for investigation of inhibition and molecular docking studies against Xanthine Oxidase

    Article • Chemical Biology Letters, September 2023, The ScienceIn Publishing

    Prof. Dr Tugba Taskin-Tok

  46. Novel hydrazones derived from anthranilic acid as potent cholinesterases and α‐glycosidase inhibitors: Synthesis, characterization, and biological effects

    Article • Journal of Biochemical and Molecular Toxicology, September 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  47. Thioether-substituted Benzimidazolium Salts: Synthesis, Characterization, Crystal Structure, and Their Inhibitory Properties Against Acetylcholinesterase and Xanthine Oxidase

    Article • Journal of Molecular Structure, September 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  48. Investigation on the Binding properties of a Coumarin Derivative to Insulin by Spectroscopic and Computational Approaches

    Article • Hacettepe Journal of Biology and Chemistry, July 2023, Hacettepe Journal of Biology and Chemistry

    Prof. Dr Tugba Taskin-Tok

  49. Molecular docking studies and biological activities of benzenesulfonamide-based thiourea and thiazolidinone derivatives targeting cholinesterases, α-glucosidase, and α-amylase enzymes

    Article • Journal of the Turkish Chemical Society Section A Chemistry, May 2023, Journal of the Turkish Chemical Society, Section A: Chemistry

    Prof. Dr Tugba Taskin-Tok

  50. Design, synthesis, biological evaluation and docking analysis of pyrrolidine-benzenesulfonamides as carbonic anhydrase or acetylcholinesterase inhibitors and antimicrobial agents

    Article • Journal of Biomolecular Structure and Dynamics, May 2023, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  51. Design, Synthesis, Characterization and Biological Activities of Novel S‐(Acyloxy)butyl‐N,N‐Diethyldithiocarbamate Compounds

    Article • ChemistrySelect, May 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  52. Chalcones bearing nitrogen‐containing heterocyclics as multi‐targeted inhibitors: Design, synthesis, biological evaluation and molecular docking studies

    Article • Journal of Molecular Recognition, May 2023, Wiley

    Prof.Dr. Emine Elçin Oruç Emre, Prof. Dr Tugba Taskin-Tok

  53. PİRİNÇ KABUK KÜLÜ İLE ENDÜSTRİYEL ATIK SUDAN KADMİYUM İYONUNUN GİDERİLMESİNİN MODELLENMESİNE YÖNELİK BİLGİSAYAR TABANLI BİR YÖNTEM

    Article • Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi, April 2023, Adiyaman University

    Prof. Dr Tugba Taskin-Tok

  54. Synthesis, Characterization, Bioactivity Impacts of New Anthranilic Acid Hydrazones Containing Aryl Sulfonate Moiety as Fenamate Isosteres

    Article • ChemistrySelect, April 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  55. Fluorinated benzimidazolium salts: Synthesis, characterization, molecular docking studies and inhibitory properties against some metabolic enzymes

    Article • Journal of Fluorine Chemistry, April 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  56. DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal

    Article • Journal of the Indian Chemical Society, March 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  57. HPLC analysis, Phytochemical Content, and Biological Effects of Centaurea kilae Against Some Metabolic Enzymes: In Vitro and In Silico Studies

    Article • ChemistrySelect, February 2023, Wiley

    Prof. Dr Tugba Taskin-Tok

  58. Synthesis, characterization and inhibitor properties of benzimidazolium salts bearing 4-(methylsulfonyl)benzyl side arms

    Article • Journal of Molecular Structure, February 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  59. In vitroanticancer, antioxidant and enzyme inhibitory potentials of endemicCephalaria elazigensisvar.purpureawithin silicostudies

    Article • Journal of Biomolecular Structure and Dynamics, January 2023, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  60. Design, synthesis, spectroscopic characterizations, single crystal X-ray analysis, in vitro xanthine oxidase and acetylcholinesterase inhibitory evaluation as well as in silico evaluation of selenium-based N-heterocyclic carbene co...

    Article • Journal of Biomolecular Structure and Dynamics, January 2023, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  61. Novel PEPPSI-type N-heterocyclic carbene palladium(II) complexes: Synthesis, characterization, in silico studies and enzyme inhibitory properties against some metabolic enzymes

    Article • Inorganica Chimica Acta, January 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  62. Synthesis, molecular docking and anticancer potential of azolium based salts and their silver complexes: DNA/BSA interaction studies and cell cycle analysis

    Article • Journal of Molecular Liquids, January 2023, Elsevier

    Prof. Dr Tugba Taskin-Tok

  63. Alzheimer Hastalığında İlacın Yeniden Kullanım İçin Hesaplamalı Yaklaşımlar

    Article • Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi, December 2022, Journal of Natural Sciences

    Prof. Dr Tugba Taskin-Tok

  64. Acetylphenyl-substituted imidazolium salts: synthesis, characterization, in silico studies and inhibitory properties against some metabolic enzymes

    Article • Molecular Diversity, December 2022, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  65. Nimesulide linked acyl thioureas potent carbonic anhydrase I, II and α-glucosidase inhibitors: Design, synthesis and molecular docking studies

    Article • European Journal of Medicinal Chemistry Reports, December 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  66. Novel chiral Schiff base Palladium(II), Nickel(II), Copper(II) and Iron(II) complexes: Synthesis, characterization, anticancer activity and molecular docking studies

    Article • Bioorganic Chemistry, December 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  67. Benzimidazolium Salts Containing Trifluoromethoxybenzyl: Synthesis, Characterization, Crystal Structure, Molecular Docking Studies and Enzymes Inhibitory Properties

    Article • Chemistry & Biodiversity, November 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  68. DNA Binding and Anticancer Properties of New Pd(II)-Phosphorus Schiff Base Metal Complexes

    Article • Pharmaceutics, November 2022, MDPI AG

    Prof. Dr Tugba Taskin-Tok

  69. LC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico research

    Article • South African Journal of Botany, November 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok, Mr Mustafa A YILMAZ

  70. Correction: Sharov et al. Computational Analysis of Molnupiravir. Int. J. Mol. Sci. 2022, 23, 1508

    Article • International Journal of Molecular Sciences, October 2022, MDPI AG

    Prof. Dr Tugba Taskin-Tok

  71. Acetylphenyl-Substituted Imidazolium Salts: Synthesis, Characterization, in silico Studies and Inhibitory Properties against Some Metabolic Enzymes

    Article • October 2022, Research Square

    Prof. Dr Tugba Taskin-Tok

  72. Synthesis and evaluation of novel xanthene‐based thiazoles as potential antidiabetic agents

    Article • Archiv der Pharmazie, October 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  73. Pentafluorobenzyl-substituted benzimidazolium salts: Synthesis, characterization, crystal structures, computational studies and inhibitory properties of some metabolic enzymes

    Article • Journal of Molecular Structure, October 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  74. Phthalimide‐tethered imidazolium salts: Synthesis, characterization, enzyme inhibitory properties, and in silico studies

    Article • Archiv der Pharmazie, September 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  75. Derivation of an anti-cancer drug nanocarrier using a malonic acid-based deep eutectic solvent as a functionalization agent

    Article • Journal of Drug Delivery Science and Technology, September 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  76. Turanecio hypochionaeus: Determination of Its Polyphenol Contents, and Bioactivities Potential Assisted with in Silico Studies

    Article • Chemistry & Biodiversity, September 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  77. Investigation of the interaction between anticancer drug ibrutinib and double-stranded DNA by electrochemical and molecular docking techniques

    Article • Microchemical Journal, September 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  78. A Biochemical Approach for Hedysarum candidissimum from Turkey: Screening Phytochemicals, Evaluation of Biological Activites, and Molecular Docking Study

    Article • Chemistry & Biodiversity, August 2022, Wiley

    Prof. Dr Tugba Taskin-Tok, Mr Mustafa A YILMAZ

  79. Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)

    Article • Polycyclic Aromatic Compounds, August 2022, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  80. New PEPPSI‐Pd‐NHC complexes bearing 4‐hydroxyphenylethyl group: Synthesis, characterization, molecular docking, and bioactivity properties

    Article • Archiv der Pharmazie, August 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  81. A Novel Fluorescent Probe for the Detection of Cyanide Ions in Solutions and Studies on Its Biophysical Interactions with ctDNA and Proteases

    Article • Journal of Fluorescence, August 2022, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  82. Biological activity and molecular docking studies of some N‐phenylsulfonamides against cholinesterases and carbonic anhydrase isoenzymes

    Article • Journal of Molecular Recognition, August 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  83. A Novel Fluorescent Probe for the Detection of Cyanide Ions in Solutions and Studies on Its Biophysical Interactions with ctDNA and Proteases

    Article • July 2022, Research Square

    Prof. Dr Tugba Taskin-Tok

  84. 1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

    Article • Polycyclic Aromatic Compounds, July 2022, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  85. Phytochemical Analysis and Biological Evaluation of Hypericum linarioides Bosse: in Vitro and in Silico Studies

    Article • ChemistrySelect, June 2022, Wiley

    Prof. Dr Tugba Taskin-Tok, Mr Mustafa A YILMAZ

  86. Assessment of antimicrobial and enzymes inhibition effects of Allium kastambulense with in silico studies: Analysis of its phenolic compounds and flavonoid contents

    Article • Arabian Journal of Chemistry, June 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  87. Evaluation of synthetic 2-aryl quinoxaline derivatives as α-amylase, α-glucosidase, acetylcholinesterase, and butyrylcholinesterase inhibitors

    Article • International Journal of Biological Macromolecules, June 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  88. Cytotoxicity effects and biochemical investigation of novel tetrakis-phthalocyanines bearing 2-thiocytosine moieties with molecular docking studies

    Article • Inorganic Chemistry Communications, April 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  89. Spectroscopic and molecular modeling methods to investigate the interaction between psycho-stimulant modafinil and calf thymus DNA using ethidium bromide as a fluorescence probe

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, April 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  90. Structural analysis and calf thymus DNA/HSA binding properties of new carbazole derivative containing piperazine

    Article • Journal of Photochemistry and Photobiology A Chemistry, April 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  91. Synthesis, In silico and in vitro studies of Silver (I)-N heterocyclic carbene complexes

    Article • Journal of Molecular Structure, March 2022, Elsevier

    Prof. Dr Tugba Taskin-Tok

  92. Benzimidazolium salts bearing the trifluoromethyl group as organofluorine compounds: Synthesis, characterization, crystal structure, in silico study, and inhibitory profiles against acetylcholinesterase and α‐glycosidase

    Article • Journal of Biochemical and Molecular Toxicology, February 2022, Wiley

    Prof. Dr Tugba Taskin-Tok

  93. Computational Analysis of Molnupiravir

    Article • International Journal of Molecular Sciences, January 2022, MDPI AG

    Prof. Dr Tugba Taskin-Tok

  94. Discovery of new chiral sulfonamides bearing benzoxadiazole as HIF inhibitors for non-small cell lung cancer therapy: design, microwave-assisted synthesis, binding affinity, in vitro antitumoral activities and in silico studies

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Prof.Dr. Emine Elçin Oruç Emre, Prof. Dr Tugba Taskin-Tok

  95. Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Prof. Dr Tugba Taskin-Tok

  96. 1,3‐dipolar cycloaddition reactions of the compound obtaining from cyclopentadiene‐PTAD and biological activities of adducts formed selectively

    Article • Journal of Heterocyclic Chemistry, December 2021, Wiley

    Prof. Dr Tugba Taskin-Tok

  97. Biology‐oriented drug synthesis and evaluation of secnidazole esters as novel enzyme ınhibitors

    Article • Archiv der Pharmazie, December 2021, Wiley

    Dr. Syed Muhammad Saad, Prof. Dr Tugba Taskin-Tok

  98. Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In-vitro and In-silico approach

    Article • Computational Biology and Chemistry, December 2021, Elsevier

    Prof. Dr Tugba Taskin-Tok

  99. Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins

    Article • Journal of the Iranian Chemical Society, November 2021, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  100. Novel tetrakis–phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effects

    Article • Journal of Biomolecular Structure and Dynamics, November 2021, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  101. Pd (II) complexes bearing “SNS” pincer‐type thioether ligands: Application as catalysts in the synthesis of vitamin K 3

    Article • Applied Organometallic Chemistry, October 2021, Wiley

    Prof. Dr Tugba Taskin-Tok

  102. A study about excellent xanthine oxidase inhibitory effects of new pyridine salts

    Article • Monatshefte für Chemie - Chemical Monthly, August 2021, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  103. A detailed understanding of the COL10A1 and SOX9 genes interaction based on potentially damaging mutations in gastric cancer using computational techniques

    Article • Journal of Biomolecular Structure and Dynamics, August 2021, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  104. Silver N‐heterocyclic carbene complexes bearing fluorinated benzyl group: Synthesis, characterization, crystal structure, computational studies, and inhibitory properties against some metabolic enzymes

    Article • Applied Organometallic Chemistry, May 2021, Wiley

    Prof. Dr Tugba Taskin-Tok

  105. Correction to “Target-Driven Design of a Coumarinyl Chalcone Scaffold Based Novel EF2 Kinase Inhibitor Suppresses Breast Cancer Growth In Vivo”

    Article • ACS Pharmacology & Translational Science, May 2021, American Chemical Society (ACS)

    Prof. Dr. Mehmet AY, Prof. Dr Tugba Taskin-Tok

  106. Antitumoral effects of Santolina chameacyparissus on Non-Small Cell Lung Cancer Cells

    Article • Journal of Experimental and Clinical Medicine, April 2021, Ondokuzmayis University, Faculty of Medicine

    Prof. Dr Tugba Taskin-Tok

  107. Target-Driven Design of a Coumarinyl Chalcone Scaffold Based Novel EF2 Kinase Inhibitor Suppresses Breast Cancer Growth In Vivo

    Article • ACS Pharmacology & Translational Science, March 2021, American Chemical Society (ACS)

    Prof. Dr. Mehmet AY, Prof. Dr Tugba Taskin-Tok

  108. Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives

    Article • Bioorganic Chemistry, March 2021, Elsevier

    Prof. Dr Tugba Taskin-Tok

  109. Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein

    Article • Journal of Biomolecular Structure and Dynamics, December 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  110. Synthesis, anticancer evaluation and in silico ADMET studies on urea/thiourea derivatives from gabapentin

    Article • Phosphorus Sulfur and Silicon and the Related Elements, December 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  111. Polyamidoamine dendrimers: Favorable polymeric nanomaterials for lipase activation

    Article • Materials Today Communications, December 2020, Elsevier

    Prof. Dr Tugba Taskin-Tok

  112. Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19

    Article • Journal of Biomolecular Structure and Dynamics, November 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  113. Electrochemical, spectroscopic, and molecular docking studies of the interaction between the anti-retroviral drug indinavir and dsDNA

    Article • Journal of Pharmaceutical Analysis, October 2020, Elsevier

    Prof. Dr Tugba Taskin-Tok

  114. Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

    Article • Computer Methods and Programs in Biomedicine, October 2020, Elsevier

    Prof. Dr Tugba Taskin-Tok

  115. The (NHC)PdBr2(2-aminopyridine) complexes: synthesis, characterization, molecular docking study, and inhibitor effects on the human serum carbonic anhydrase and serum bovine xanthine oxidase

    Article • Monatshefte für Chemie - Chemical Monthly, October 2020, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  116. A selective and molecular imaging approach for anticancer drug: Pemetrexed by nanoparticle accelerated molecularly imprinting polymer

    Article • Electrochimica Acta, September 2020, Elsevier

    Prof. Dr Tugba Taskin-Tok

  117. Designing heterocyclic chalcones, benzoyl/sulfonyl hydrazones: An insight into their biological activities and molecular docking study

    Article • Journal of Molecular Structure, July 2020, Elsevier

    Prof.Dr. Emine Elçin Oruç Emre, Prof. Dr Tugba Taskin-Tok

  118. SYNTHESIS, ANTIBACTERIAL ACTIVITY AND DOCKING STUDIES OF BENZYL ALCOHOL DERIVATIVES

    Article • Journal of the Turkish Chemical Society Section A Chemistry, June 2020, Journal of the Turkish Chemical Society, Section A: Chemistry

    Prof. Dr Tugba Taskin-Tok

  119. Bioinformatic and computational analysis for predominant mutations of the Nrf2/Keap1 complex in pediatric leukemia

    Article • Journal of Biomolecular Structure and Dynamics, June 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  120. Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

    Article • Journal of Biomolecular Structure and Dynamics, May 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  121. Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation

    Article • Journal of Biomolecular Structure and Dynamics, March 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  122. Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach

    Article • Journal of Biomolecular Structure and Dynamics, March 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  123. Synthesis of new morpholine containing 3-amido-9-ethylcarbazole derivative and studies on its biophysical interactions with calf thymus DNA/HSA

    Article • Journal of Biomolecular Structure and Dynamics, March 2020, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  124. Fluorescence chemosensing of meldonium using a cross-reactive sensor array

    Article • The Analyst, January 2020, Royal Society of Chemistry

    Prof. Dr Tugba Taskin-Tok, Dr Mehmet Gokhan Caglayan

  125. Sensitive Nucleic Acid Detection at NH2‐MWCNTs Modified Glassy Carbon Electrode and its Application for Monitoring of Gemcitabine‐DNA Interaction

    Article • Electroanalysis, December 2019, Wiley

    Prof. Dr Tugba Taskin-Tok

  126. Evaluation of xanthine oxidase inhibitor properties on isoindoline-1,3-dion derivatives and calculation of interaction mechanism

    Article • Journal of Molecular Structure, December 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok

  127. Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer

    Article • European Journal of Medicinal Chemistry, December 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok, Prof. Dr. Mehmet AY

  128. A biguanide derivative and its cyclic anologue: Structural chracterization, AChE inhibitory effect and docking studies

    Article • Journal of Molecular Structure, November 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok

  129. Design, synthesis, biological evaluation and molecular docking of novel moleculesto PARP-1 enzyme

    Article • TURKISH JOURNAL OF CHEMISTRY, October 2019, The Scientific and Technological Research Council of Turkey

    Prof. Dr Tugba Taskin-Tok

  130. Naproxen Derivative Interaction Properties with ct-DNA

    Article • Hacettepe Journal of Biology and Chemistry, September 2019, Hacettepe Journal of Biology and Chemistry

    Prof. Dr Tugba Taskin-Tok

  131. Electrochemical Determination and in silico Studies of Fludarabine on NH 2 Functionalized Multiwalled Carbon Nanotube Modified Glassy Carbon Electrode

    Article • Electroanalysis, August 2019, Wiley

    Prof. Dr Tugba Taskin-Tok

  132. Inhibition of paraoxonase 1 by coumarin‐substituted N‐heterocyclic carbene silver(I), ruthenium(II) and palladium(II) complexes

    Article • Applied Organometallic Chemistry, July 2019, Wiley

    Prof. Dr Tugba Taskin-Tok

  133. Novel fluorine-containing chiral hydrazide-hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, and in silico studies

    Article • Chirality, June 2019, Wiley

    Prof. Dr Tugba Taskin-Tok, Prof.Dr. Emine Elçin Oruç Emre

  134. PRODRUGS FOR NITROREDUCTASE BASED CANCER THERAPY- 2: Novel amide/Ntr combinations targeting PC3 cancer cells

    Article • European Journal of Medicinal Chemistry, June 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok, Prof. Dr. Mehmet AY

  135. Electrochemical, spectroscopic and molecular docking studies on the interaction of calcium channel blockers with dsDNA

    Article • Bioelectrochemistry, June 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok

  136. Synthesis, Biological Evaluation and Ligand Based Pharmacophore Modeling of New Aromatic Thiosemicarbazones as Potential Anticancer Agents

    Article • Pharmaceutical Chemistry Journal, May 2019, Springer Science + Business Media

    Prof.Dr. Emine Elçin Oruç Emre, Prof. Dr Tugba Taskin-Tok

  137. Structure prediction of eukaryotic elongation factor-2 kinase and identification of the binding mechanisms of its inhibitors: Homology modeling, Molecular Docking and Molecular Dynamics Simulation

    Article • Journal of Biomolecular Structure and Dynamics, March 2019, Taylor & Francis

    Gizem Tatar, Prof. Dr Tugba Taskin-Tok

  138. The redox mechanism investigation of non-small cell lung cancer drug: Erlotinib via theoretical and experimental techniques and its host–guest detection by β-Cyclodextrin nanoparticles modified glassy carbon electrode

    Article • Sensors and Actuators B Chemical, January 2019, Elsevier

    Prof. Dr Tugba Taskin-Tok

  139. Multispectroscopic and Computational Investigation of ct-DNA Binding Properties with Hydroxybenzylidene Containing Tetrahydrocarbazole Derivative

    Article • Journal of Fluorescence, October 2018, Springer Science + Business Media

    Prof. Dr Tugba Taskin-Tok

  140. GR24, a synthetic analog of Strigolactones, alleviates inflammation and promotes Nrf2 cytoprotective response: In vitro and in silico evidences

    Article • Computational Biology and Chemistry, October 2018, Elsevier

    Prof. Dr Tugba Taskin-Tok

  141. Benzotriazole functionalized N-heterocyclic carbene–silver(I) complexes: Synthesis, cytotoxicity, antimicrobial, DNA binding, and molecular docking studies

    Article • Polyhedron, October 2018, Elsevier

    Prof. Dr Tugba Taskin-Tok

  142. Xanthine oxidase inhibitory activity of new pyrrole carboxamide derivatives: In vitro and in silico studies

    Article • Archiv der Pharmazie, August 2018, Wiley

    Prof. Dr Tugba Taskin-Tok

  143. Protonated water-soluble N -heterocyclic carbene ruthenium(II) complexes: Synthesis, cytotoxic and DNA binding properties and molecular docking study

    Article • Journal of Organometallic Chemistry, August 2018, Elsevier

    Prof. Dr Tugba Taskin-Tok

  144. Determination of potential selective inhibitors for ROCKI and ROCKII isoforms with molecular modeling techniques: Structure Based Docking, ADMET and Molecular Dynamics Simulation

    Article • Journal of Biomolecular Structure and Dynamics, July 2018, Taylor & Francis

    Gizem Tatar, Prof. Dr Tugba Taskin-Tok

  145. Prodrugs for Nitroreductase Based Cancer Therapy- 1: Metabolite Profile, Cell Cytotoxicity and Molecular Modeling Interactions of Nitro Benzamides with Ssap-NtrB

    Article • Medicinal Chemistry, July 2018, Bentham Science Publishers

    Prof. Dr Tugba Taskin-Tok, Prof. Dr. Mehmet AY

  146. Synthesis, anticancer activity and ADMET studies of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(3-substituted)ureido/thioureido] benzenesulfonamide derivatives

    Article • Phosphorus Sulfur and Silicon and the Related Elements, March 2018, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok, Sevda Türk

  147. Investigation of binding properties of two ethidium derivatives with serum albumins: spectral and computational approach

    Article • Journal of Biomolecular Structure and Dynamics, October 2017, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  148. Aryl benzofuran derivatives from the stem bark of Calpocalyx dinklagei attenuate inflammation

    Article • Phytochemistry, September 2017, Elsevier

    Prof. Dr Tugba Taskin-Tok

  149. Biological evaluation and molecular docking studies of nitro benzamide derivatives with respect to in vitro anti-inflammatory activity

    Article • International Immunopharmacology, February 2017, Elsevier

    Prof. Dr Tugba Taskin-Tok, Prof. Dr. Mehmet AY

  150. The potential BChE inhibitor

    Article • European Journal of Medicinal Chemistry, November 2016, Elsevier

    Prof. Dr Tugba Taskin-Tok, Prof.Dr. Emine Elçin Oruç Emre

  151. Clarification of Interaction Mechanism of Mouse Hepatitis Virus (MHV) N and nsp3 Protein with Homology Modeling and Protein-Protein Docking Analysis

    Article • Current Computer - Aided Drug Design, July 2016, Bentham Science Publishers

    Prof. Dr Tugba Taskin-Tok

  152. The new organometalic structure and its properties

    Article • TURKISH JOURNAL OF CHEMISTRY, January 2016, The Scientific and Technological Research Council of Turkey

    Prof. Dr Tugba Taskin-Tok

  153. The new nonsteroidal anti-inflammatory drug against COX-2

    Article • TURKISH JOURNAL OF CHEMISTRY, January 2015, The Scientific and Technological Research Council of Turkey

    Prof. Dr Tugba Taskin-Tok

  154. New organometalic compounds and their biological activities

    Article • TURKISH JOURNAL OF CHEMISTRY, January 2015, The Scientific and Technological Research Council of Turkey

    Prof. Dr Tugba Taskin-Tok

  155. Synthesis, Molecular Modeling, and Biological Evaluation of Novel Chiral Thiosemicarbazone Derivatives as Potent Anticancer Agents

    Article • Chirality, November 2014, Wiley

    Prof. Dr Tugba Taskin-Tok, Hasan Bayram, Prof.Dr. Emine Elçin Oruç Emre

  156. Evaluation of inhibitory effects of benzothiazole and 3-amino-benzothiazolium derivatives on DNA topoisomerase II by molecular modeling studies

    Article • SAR and QSAR in Environmental Research, July 2014, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  157. Anticancer Drug — Friend or Foe

    Article • July 2014, IntechOpen

    Prof. Dr Tugba Taskin-Tok

  158. Association Between Thr21Met and Ser89Asn Polymorphisms of the Urotensin-II (UTS2) Gene, Diabetes Mellitus, and Diabetic Retinopathy

    Article • Current Eye Research, May 2012, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  159. Insight into eukaryotic topoisomerase II-inhibiting fused heterocyclic compounds in human cancer cell lines by molecular docking

    Article • SAR and QSAR in Environmental Research, April 2012, Taylor & Francis

    Prof. Dr Tugba Taskin-Tok

  160. QSAR and docking studies of inhibition activity of 5,6-dihydro 11-alkylbenzo[\alpha]carbazole derivatives against estrogen receptor

    Article • TURKISH JOURNAL OF CHEMISTRY, January 2011, The Scientific and Technological Research Council of Turkey (TUBITAK-ULAKBIM) - DIGITAL COMMONS JOURNALS

    Prof. Dr Tugba Taskin-Tok

  161. QSAR Approach to Correlate TRPV1 Antagonist Activity for a Series of Heteroaromatic Urea

    Article • QSAR & Combinatorial Science, June 2009, Wiley

    Prof. Dr Tugba Taskin-Tok

  162. Theoretical investigation on chemical and biochemical activities of 5,6-dihydro-11H-benzo[α]carbazole and its derivatives

    Article • Journal of Molecular Structure THEOCHEM, February 2007, Elsevier

    Prof. Dr Tugba Taskin-Tok