All Stories

  1. New N-Benzoylthiourea-pyrrolidine-based Copper(II) complexes as anticancer agents
  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
  3. CHROMATOGRAPHIC AND COMPUTATIONAL APPROACHES TO THE PHARMACOKINETIC PROFILE OF PIROXICAM AND ITS SENSITIVE ASSAY IN RABBIT PLASMA
  4. Novel ruthenium(II)oxothiazolidine complexes: Design, synthesis, characterization, DNA binding and anticancer activity
  5. A dual- enzyme targeted approach: Flurbiprofen-linked 1,2,4-triazole-3-thione schiff bases against acetylcholinesterase and α-glucosidase
  6. Design and evaluation of ester-containing PEPPSI Type Pd(II)NHC complexes as multitarget enzyme inhibitors
  7. Water-soluble metallophthalocyanines bearing 1-naphthoxy-4-sulfonic acid sodium salts: Sono-Photochemical and enzyme inhibition potential with molecular docking analysis
  8. 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
  9. Pyrrolidine-based hybrid compounds: design, synthesis, in vitro and in vivo pharmacological properties and molecular docking studies
  10. 5(6)‐Benzoyl‐Substituted Benzimidazoles and Their Benzimidazolium Salts: Design, Synthesis, Characterization, Crystal Structure, and Some Metabolic Enzymes Inhibition Properties
  11. Imidazol‐2‐Ylidene‐Silver(I) Complexes Bearing 4‐Acetylphenyl Side Arm: Design, Synthesis, Characterization, Crystal Structure, and Inhibitory Properties Against Some Metabolic Enzymes
  12. Synthesis of N-heterocyclic carbene‑selenium complexes modulating apoptosis and autophagy in cancer cells: Probing the interactions with biomolecules and enzymes
  13. Bis(azo‐mine) Based Transition Metal Complexes: Synthesis, Spectroscopy, DNA Binding, Docking Studies, and α‐Glucosidase Inhibition Activity
  14. Ruthenium(II) p-cymene complexes bearing amine-functionalized N-heterocyclic carbenes: Synthesis, characterization, in silico and enzyme inhibition studies
  15. Design, synthesis, and biological evaluation of 3-phenylimidazo[1,2-a]pyridine derivatives as diverse enzyme inhibitors
  16. Benzimidazolium salts bearing ester group: Synthesis, characterization, crystal structure, molecular docking studies, and inhibitory properties against metabolic enzymes
  17. Synthesis of a BODIPY-quinoline dyad probe and studies of its biophysical interactions with fibrinogen/HSA by spectral and computational methods
  18. 2-amino-6-ethoxy-4-arylpyridine-3,5-dicarbonitrile Scaffolds as potential acetylcholinesterase and butyrylcholinesterase inhibitors
  19. Chiral thioureas containing naphthalene moiety as selective butyrylcholinesterase inhibitors: Design, synthesis, cholinesterase inhibition activity and molecular docking studies
  20. N-Tosylated carbazole derivatives: Spectroscopic and computational insights into DNA and protein interactions
  21. Synthesis of zinc phthalocyanine containing 1,2-phenylene bis(3-chloropropanoate) substituted groups and investigation of their metabolic enzyme inhibitory effects
  22. Novel composite structures based on cobalt phthalocyanine/graphene oxide: Identification of potential drug candidates to treat Alzheimer’s disease and diabetes
  23. Aptamer biosensor design for the detection of endocrine-disrupting chemicals small organic molecules using novel bioinformatics methods
  24. Synthesis, fluorescence, enzymes effects, and evaluation of tetrahydroxy substituted zinc phthalocyanine as multitarget metabolic enzyme inhibitors with molecular docking: the biochemistry-oriented drug design
  25. Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole
  26. Fluorescence Studies on the Binding Affinity and Determination of Vitamin B12 in the Presence of Fibrinogen
  27. Synthesis, characterization, crystal structure, biological activities, and molecular docking study of the (NHC)Pd(II)(Morp) (NHC: N-heterocyclic carbene, Morp: Morpholine) complexes
  28. Synthesis, characterization, DNA interaction, molecular docking, and α‐glucosidase inhibition studies of 3‐(pyrimidin‐2‐ylthio) groups substituted water soluble zinc (II) phthalocyanine
  29. Fluorescence studies on the binding affinity and determination of vitamin B12 in the presence of fibrinogen
  30. Nanodiamonds and natural deep eutectic solvents as potential carriers for lipase
  31. Synthesis of zinc phthalocyanine complex containing tetra propanoic acid groups: Electronic properties and inhibitory effects on some metabolic enzymes
  32. Bisbenzimidazole salts and their in silico–in vitro inhibitory abilities on hCA I, hCA II, and AChE enzymes
  33. Design, Synthesis, and In Silico and In Vitro Cytotoxic Activities of Novel Isoniazid–Hydrazone Analogues Linked to Fluorinated Sulfonate Esters
  34. Synthesis, characterization, DNA interaction, molecular docking, and α-amylase and α-glucosidase inhibition studies of a water soluble Zn(ii) phthalocyanine
  35. 2-Amino-6-ethoxy-4-arylpyridine-3,5-dicarbonitrile Scaffolds as Potential Acetylcholinesterase and Butyrylcholinesterase Inhibitors
  36. Synthesis of a Bodipy-Quinoline Dyad Probe and Studies of its Biophysical Interactions with Fibrinogen/Hsa by Spectral and Computational Methods
  37. The synthesis, carbonic anhydrase and acetylcholinesterase inhibition effects of sulfonyl chloride moiety containing oxazolidinones using an intramolecular aza-Michael addition
  38. Benzimidazolium Salts Bearing Nitrile Moieties: Synthesis, Enzyme Inhibition Profiling, and Molecular Docking Analysis for Carbonic Anhydrase and Acetylcholinesterase
  39. 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
  40. New palladium complexes with N‐heterocyclic carbene and morpholine ligands: Synthesis, characterization, crystal structure, molecular docking, and biological activities
  41. 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
  42. Design, Synthesis, Pharmacological Activities, Structure–Activity Relationship, and In Silico Studies of Novel 5-Substituted-2-(morpholinoimino)-thiazolidin-4-ones
  43. Evaluation of the Binding Properties of A New Phenylurea Appended Carbazole Compound to Pepsin/Trypsin by Computational and Multi-Spectral Analysis
  44. N-Heterocyclic Compounds, In silico Molecular Docking Studies, and In vitro Enzyme Inhibition Effect against Acetylcholinesterase Inhibitors
  45. Deciphering of Biophysical Interaction of Calf Thymus DNA with a Sulfa Drug: Spectroscopic and Molecular Docking Study
  46. Synthesis of 1,4-disubstituted-1,2,3-Triazole derivatives for investigation of inhibition and molecular docking studies against Xanthine Oxidase
  47. Novel hydrazones derived from anthranilic acid as potent cholinesterases and α‐glycosidase inhibitors: Synthesis, characterization, and biological effects
  48. Thioether-substituted Benzimidazolium Salts: Synthesis, Characterization, Crystal Structure, and Their Inhibitory Properties Against Acetylcholinesterase and Xanthine Oxidase
  49. Investigation on the Binding properties of a Coumarin Derivative to Insulin by Spectroscopic and Computational Approaches
  50. Molecular docking studies and biological activities of benzenesulfonamide-based thiourea and thiazolidinone derivatives targeting cholinesterases, α-glucosidase, and α-amylase enzymes
  51. Design, synthesis, biological evaluation and docking analysis of pyrrolidine-benzenesulfonamides as carbonic anhydrase or acetylcholinesterase inhibitors and antimicrobial agents
  52. Design, Synthesis, Characterization and Biological Activities of Novel S‐(Acyloxy)butyl‐N,N‐Diethyldithiocarbamate Compounds
  53. Chalcones bearing nitrogen‐containing heterocyclics as multi‐targeted inhibitors: Design, synthesis, biological evaluation and molecular docking studies
  54. PİRİNÇ KABUK KÜLÜ İLE ENDÜSTRİYEL ATIK SUDAN KADMİYUM İYONUNUN GİDERİLMESİNİN MODELLENMESİNE YÖNELİK BİLGİSAYAR TABANLI BİR YÖNTEM
  55. Synthesis, Characterization, Bioactivity Impacts of New Anthranilic Acid Hydrazones Containing Aryl Sulfonate Moiety as Fenamate Isosteres
  56. Fluorinated benzimidazolium salts: Synthesis, characterization, molecular docking studies and inhibitory properties against some metabolic enzymes
  57. DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal
  58. HPLC analysis, Phytochemical Content, and Biological Effects of Centaurea kilae Against Some Metabolic Enzymes: In Vitro and In Silico Studies
  59. Synthesis, characterization and inhibitor properties of benzimidazolium salts bearing 4-(methylsulfonyl)benzyl side arms
  60. In vitroanticancer, antioxidant and enzyme inhibitory potentials of endemicCephalaria elazigensisvar.purpureawithin silicostudies
  61. 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...
  62. Novel PEPPSI-type N-heterocyclic carbene palladium(II) complexes: Synthesis, characterization, in silico studies and enzyme inhibitory properties against some metabolic enzymes
  63. Synthesis, molecular docking and anticancer potential of azolium based salts and their silver complexes: DNA/BSA interaction studies and cell cycle analysis
  64. Alzheimer Hastalığında İlacın Yeniden Kullanım İçin Hesaplamalı Yaklaşımlar
  65. Acetylphenyl-substituted imidazolium salts: synthesis, characterization, in silico studies and inhibitory properties against some metabolic enzymes
  66. Nimesulide linked acyl thioureas potent carbonic anhydrase I, II and α-glucosidase inhibitors: Design, synthesis and molecular docking studies
  67. Novel chiral Schiff base Palladium(II), Nickel(II), Copper(II) and Iron(II) complexes: Synthesis, characterization, anticancer activity and molecular docking studies
  68. Benzimidazolium Salts Containing Trifluoromethoxybenzyl: Synthesis, Characterization, Crystal Structure, Molecular Docking Studies and Enzymes Inhibitory Properties
  69. DNA Binding and Anticancer Properties of New Pd(II)-Phosphorus Schiff Base Metal Complexes
  70. LC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico research
  71. Correction: Sharov et al. Computational Analysis of Molnupiravir. Int. J. Mol. Sci. 2022, 23, 1508
  72. Acetylphenyl-Substituted Imidazolium Salts: Synthesis, Characterization, in silico Studies and Inhibitory Properties against Some Metabolic Enzymes
  73. Synthesis and evaluation of novel xanthene‐based thiazoles as potential antidiabetic agents
  74. Pentafluorobenzyl-substituted benzimidazolium salts: Synthesis, characterization, crystal structures, computational studies and inhibitory properties of some metabolic enzymes
  75. Phthalimide‐tethered imidazolium salts: Synthesis, characterization, enzyme inhibitory properties, and in silico studies
  76. Derivation of an anti-cancer drug nanocarrier using a malonic acid-based deep eutectic solvent as a functionalization agent
  77. Turanecio hypochionaeus: Determination of Its Polyphenol Contents, and Bioactivities Potential Assisted with in Silico Studies
  78. Investigation of the interaction between anticancer drug ibrutinib and double-stranded DNA by electrochemical and molecular docking techniques
  79. A Biochemical Approach for Hedysarum candidissimum from Turkey: Screening Phytochemicals, Evaluation of Biological Activites, and Molecular Docking Study
  80. Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)
  81. New PEPPSI‐Pd‐NHC complexes bearing 4‐hydroxyphenylethyl group: Synthesis, characterization, molecular docking, and bioactivity properties
  82. A Novel Fluorescent Probe for the Detection of Cyanide Ions in Solutions and Studies on Its Biophysical Interactions with ctDNA and Proteases
  83. Biological activity and molecular docking studies of some N‐phenylsulfonamides against cholinesterases and carbonic anhydrase isoenzymes
  84. A Novel Fluorescent Probe for the Detection of Cyanide Ions in Solutions and Studies on Its Biophysical Interactions with ctDNA and Proteases
  85. 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
  86. Phytochemical Analysis and Biological Evaluation of Hypericum linarioides Bosse: in Vitro and in Silico Studies
  87. Assessment of antimicrobial and enzymes inhibition effects of Allium kastambulense with in silico studies: Analysis of its phenolic compounds and flavonoid contents
  88. Evaluation of synthetic 2-aryl quinoxaline derivatives as α-amylase, α-glucosidase, acetylcholinesterase, and butyrylcholinesterase inhibitors
  89. Cytotoxicity effects and biochemical investigation of novel tetrakis-phthalocyanines bearing 2-thiocytosine moieties with molecular docking studies
  90. Spectroscopic and molecular modeling methods to investigate the interaction between psycho-stimulant modafinil and calf thymus DNA using ethidium bromide as a fluorescence probe
  91. Structural analysis and calf thymus DNA/HSA binding properties of new carbazole derivative containing piperazine
  92. Synthesis, In silico and in vitro studies of Silver (I)-N heterocyclic carbene complexes
  93. Benzimidazolium salts bearing the trifluoromethyl group as organofluorine compounds: Synthesis, characterization, crystal structure, in silico study, and inhibitory profiles against acetylcholinesterase and α‐glycosidase
  94. Computational Analysis of Molnupiravir
  95. 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
  96. Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods
  97. 1,3‐dipolar cycloaddition reactions of the compound obtaining from cyclopentadiene‐PTAD and biological activities of adducts formed selectively
  98. Biology‐oriented drug synthesis and evaluation of secnidazole esters as novel enzyme ınhibitors
  99. 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
  100. Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins
  101. Novel tetrakis–phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effects
  102. Pd (II) complexes bearing “SNS” pincer‐type thioether ligands: Application as catalysts in the synthesis of vitamin K 3
  103. A study about excellent xanthine oxidase inhibitory effects of new pyridine salts
  104. A detailed understanding of the COL10A1 and SOX9 genes interaction based on potentially damaging mutations in gastric cancer using computational techniques
  105. Silver N‐heterocyclic carbene complexes bearing fluorinated benzyl group: Synthesis, characterization, crystal structure, computational studies, and inhibitory properties against some metabolic enzymes
  106. Correction to “Target-Driven Design of a Coumarinyl Chalcone Scaffold Based Novel EF2 Kinase Inhibitor Suppresses Breast Cancer Growth In Vivo”
  107. Antitumoral effects of Santolina chameacyparissus on Non-Small Cell Lung Cancer Cells
  108. Target-Driven Design of a Coumarinyl Chalcone Scaffold Based Novel EF2 Kinase Inhibitor Suppresses Breast Cancer Growth In Vivo
  109. 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
  110. Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein
  111. Synthesis, anticancer evaluation and in silico ADMET studies on urea/thiourea derivatives from gabapentin
  112. Polyamidoamine dendrimers: Favorable polymeric nanomaterials for lipase activation
  113. Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19
  114. Electrochemical, spectroscopic, and molecular docking studies of the interaction between the anti-retroviral drug indinavir and dsDNA
  115. Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis
  116. 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
  117. A selective and molecular imaging approach for anticancer drug: Pemetrexed by nanoparticle accelerated molecularly imprinting polymer
  118. Designing heterocyclic chalcones, benzoyl/sulfonyl hydrazones: An insight into their biological activities and molecular docking study
  119. SYNTHESIS, ANTIBACTERIAL ACTIVITY AND DOCKING STUDIES OF BENZYL ALCOHOL DERIVATIVES
  120. Bioinformatic and computational analysis for predominant mutations of the Nrf2/Keap1 complex in pediatric leukemia
  121. Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2
  122. Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation
  123. Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach
  124. Synthesis of new morpholine containing 3-amido-9-ethylcarbazole derivative and studies on its biophysical interactions with calf thymus DNA/HSA
  125. Fluorescence chemosensing of meldonium using a cross-reactive sensor array
  126. Sensitive Nucleic Acid Detection at NH2‐MWCNTs Modified Glassy Carbon Electrode and its Application for Monitoring of Gemcitabine‐DNA Interaction
  127. Evaluation of xanthine oxidase inhibitor properties on isoindoline-1,3-dion derivatives and calculation of interaction mechanism
  128. 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
  129. A biguanide derivative and its cyclic anologue: Structural chracterization, AChE inhibitory effect and docking studies
  130. Design, synthesis, biological evaluation and molecular docking of novel moleculesto PARP-1 enzyme
  131. Naproxen Derivative Interaction Properties with ct-DNA
  132. Electrochemical Determination and in silico Studies of Fludarabine on NH 2 Functionalized Multiwalled Carbon Nanotube Modified Glassy Carbon Electrode
  133. Inhibition of paraoxonase 1 by coumarin‐substituted N‐heterocyclic carbene silver(I), ruthenium(II) and palladium(II) complexes
  134. Novel fluorine-containing chiral hydrazide-hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, and in silico studies
  135. PRODRUGS FOR NITROREDUCTASE BASED CANCER THERAPY- 2: Novel amide/Ntr combinations targeting PC3 cancer cells
  136. Electrochemical, spectroscopic and molecular docking studies on the interaction of calcium channel blockers with dsDNA
  137. Synthesis, Biological Evaluation and Ligand Based Pharmacophore Modeling of New Aromatic Thiosemicarbazones as Potential Anticancer Agents
  138. 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
  139. 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
  140. Multispectroscopic and Computational Investigation of ct-DNA Binding Properties with Hydroxybenzylidene Containing Tetrahydrocarbazole Derivative
  141. GR24, a synthetic analog of Strigolactones, alleviates inflammation and promotes Nrf2 cytoprotective response: In vitro and in silico evidences
  142. Benzotriazole functionalized N-heterocyclic carbene–silver(I) complexes: Synthesis, cytotoxicity, antimicrobial, DNA binding, and molecular docking studies
  143. Xanthine oxidase inhibitory activity of new pyrrole carboxamide derivatives: In vitro and in silico studies
  144. Protonated water-soluble N -heterocyclic carbene ruthenium(II) complexes: Synthesis, cytotoxic and DNA binding properties and molecular docking study
  145. Determination of potential selective inhibitors for ROCKI and ROCKII isoforms with molecular modeling techniques: Structure Based Docking, ADMET and Molecular Dynamics Simulation
  146. Prodrugs for Nitroreductase Based Cancer Therapy- 1: Metabolite Profile, Cell Cytotoxicity and Molecular Modeling Interactions of Nitro Benzamides with Ssap-NtrB
  147. Synthesis, anticancer activity and ADMET studies of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(3-substituted)ureido/thioureido] benzenesulfonamide derivatives
  148. Investigation of binding properties of two ethidium derivatives with serum albumins: spectral and computational approach
  149. Aryl benzofuran derivatives from the stem bark of Calpocalyx dinklagei attenuate inflammation
  150. Biological evaluation and molecular docking studies of nitro benzamide derivatives with respect to in vitro anti-inflammatory activity
  151. The potential BChE inhibitor
  152. Clarification of Interaction Mechanism of Mouse Hepatitis Virus (MHV) N and nsp3 Protein with Homology Modeling and Protein-Protein Docking Analysis
  153. The new organometalic structure and its properties
  154. The new nonsteroidal anti-inflammatory drug against COX-2
  155. New organometalic compounds and their biological activities
  156. Synthesis, Molecular Modeling, and Biological Evaluation of Novel Chiral Thiosemicarbazone Derivatives as Potent Anticancer Agents
  157. Evaluation of inhibitory effects of benzothiazole and 3-amino-benzothiazolium derivatives on DNA topoisomerase II by molecular modeling studies
  158. Anticancer Drug — Friend or Foe
  159. Association Between Thr21Met and Ser89Asn Polymorphisms of the Urotensin-II (UTS2) Gene, Diabetes Mellitus, and Diabetic Retinopathy
  160. Insight into eukaryotic topoisomerase II-inhibiting fused heterocyclic compounds in human cancer cell lines by molecular docking
  161. QSAR and docking studies of inhibition activity of 5,6-dihydro 11-alkylbenzo[\alpha]carbazole derivatives against estrogen receptor
  162. QSAR Approach to Correlate TRPV1 Antagonist Activity for a Series of Heteroaromatic Urea
  163. Theoretical investigation on chemical and biochemical activities of 5,6-dihydro-11H-benzo[α]carbazole and its derivatives