All Stories

  1. Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by the BCR-ABL Gene: An Hierarchical Biochemoinformatics Analysis
  2. Synthesis and Anti-Diabetic Activity of an 8-Purine Derivative as a Novel DPP-4 Inhibitor in Obese Diabetic Zücker Rats
  3. Development of Potential Multi-Target Inhibitors for Human Cholinesterases and Beta-Secretase 1: A Computational Approach
  4. Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions
  5. Hierarchical Virtual Screening of Potential New Antibiotics from Polyoxygenated Dibenzofurans against Staphylococcus aureus Strains
  6. Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2
  7. Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach
  8. Identification of a Novel Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase: In Vitro and In Silico Studies
  9. Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1
  10. Identification of Potential Insect Growth Inhibitor against Aedes aegypti: A Bioinformatics Approach
  11. The Role of Celecoxib as a Potential Inhibitor in the Treatment of Inflammatory Diseases - A Review
  12. Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro
  13. An Overview of the α4β1 Integrin and the Potential Therapeutic Role of its Antagonists
  14. Development of Bozepinib-Loaded Nanocapsules for Nose-To-Brain Delivery: Preclinical Evaluation in Glioblastoma
  15. Choline Kinase: An Unexpected Journey for a Precision Medicine Strategy in Human Diseases
  16. Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines
  17. Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches
  18. Alkylated Sesamol Derivatives as Potent Antioxidants
  19. Molecular modeling approaches of selective adenosine receptor type 2A agonists as potential anti-inflammatory drugs
  20. Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches
  21. Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening
  22. Antioxidant effect of flavonoids present in Euterpe oleracea Martius and neurodegenerative diseases: A literature review
  23. Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos
  24. In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity
  25. In Silico Study to Identify New Antituberculosis Molecules from Natural Sources by Hierarchical Virtual Screening and Molecular Dynamics Simulations
  26. Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening
  27. Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism
  28. An In Silico Study of the Antioxidant Ability for Two Caffeine Analogs Using Molecular Docking and Quantum Chemical Methods
  29. Development of Biotransamination Reactions towards the 3,4-Dihydro-2H-1,5-benzoxathiepin-3-amine Enantiomers
  30. An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn
  31. In Silico Evaluation of the Antioxidant Potential of Two Caffeine Analogs with Recognized Epithelial Anticancer Potential
  32. Reverse Induced Fit-Driven MAS-Downstream Transduction: Looking for Metabotropic Agonists
  33. Inhibitors of Cancer Stem Cells
  34. Imidazoles and Benzimidazoles as Tubulin-Modulators for Anti-Cancer Therapy
  35. p-Nitrobenzenesulfonamides and their fluorescent dansylsulfonamides derived from N-alkylated o-(purine-methyl)anilines as novel antitumour agents
  36. Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes
  37. Preclinical Characterization of RSM-932A, a Novel Anticancer Drug Targeting the Human Choline Kinase Alpha, an Enzyme Involved in Increased Lipid Metabolism of Cancer Cells
  38. 4-Amino Bis-Pyridinium Derivatives as Novel Antileishmanial Agents
  39. Anti-proliferative activity of 2,6-dichloro-9- or 7-(ethoxycarbonylmethyl)-9H- or 7H-purines against several human solid tumour cell lines
  40. Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions
  41. Enantiospecific Synthesis of Heterocycles Linked to Purines: Different Apoptosis Modulation of Enantiomers in Breast Cancer Cells
  42. Bozepinib, a novel small antitumor agent, induces PKR-mediated apoptosis and synergizes with IFNα triggering apoptosis, autophagy and senescence
  43. Chromatographic Enantioresolution of Six Purine Derivatives Endowed with Anti-Human Breast Cancer Activity
  44. The selective cytotoxic activity in breast cancer cells by an anthranilic alcohol-derived acyclic 5-fluorouracil O,N-acetal is mediated by endoplasmic reticulum stress-induced apoptosis
  45. Novel 4‐Amino Bis‐pyridinium and Bis‐quinolinium Derivatives as Choline Kinase Inhibitors with Antiproliferative Activity against the Human Breast Cancer SKBR‐3 Cell Line
  46. Synthesis, unambiguous chemical characterization, and reactivity of 2,3,4,5-tetrahydro-1,5-benzoxazepines-3-ol
  47. Two tautomeric polymorphs of 2,6-dichloropurine
  48. Anticancer activity and cDNA microarray studies of a (RS)-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-yl]-6-chloro-9H-purine, and an acyclic (RS)-O,N-acetalic 6-chloro-7H-purine
  49. Synthesis and anticancer activity of (RS)-9-(2,3-dihydro-1,4-benzoxaheteroin-2-ylmethyl)-9H-purines
  50. The Chemotherapeutic Drug 5-Fluorouracil Promotes PKR-Mediated Apoptosis in a p53- Independent Manner in Colon and Breast Cancer Cells
  51. Synthesis and Anticancer Activity of the (R,S)‐Benzofused 1,5‐Oxathiepine Moiety Tethered to Purines through Alkylidenoxy Linkers
  52. Homodimeric Bis-Quaternary Heterocyclic Ammonium Salts as Potent Acetyl- and Butyrylcholinesterase Inhibitors: A Systematic Investigation of the Influence of Linker and Cationic Heads over Affinity and Selectivity
  53. Syntheses of 2,3-Dihydro-1,4-Benzodioxins and Bioisosteres as Structural Motifs for Biologically Active Compounds
  54. New (RS)-benzoxazepin-purines with antitumour activity: The chiral switch from (RS)-2,6-dichloro-9-[1-(p-nitrobenzenesulfonyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]-9H-purine
  55. Synthesis of Purine Derivatives as Scaffolds for a Diversity of Biological Activities
  56. Design, Synthesis and Anticancer Activity Against the MCF-7 Cell Line of Benzo-Fused 1,4-Dihetero Seven- and Six-Membered Tethered Pyrimidines and Purines
  57. From 5-fluorouracil acyclonucleosides to benzo-fused six- and seven-membered rings linked to pyrimidine and purine bases: the shift from differentiating anticancer agents to apoptotic inducers
  58. Regiospecific microwave-assisted synthesis and cytotoxic activity against human breast cancer cells of (RS)-6-substituted-7- or 9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H- or -9H-purines
  59. Bis-Quinolinium Cyclophanes: Highly Potent and Selective Non-Peptidic Blockers of the Apamin-Sensitive Ca2+-Activated K+ Channel
  60. Thermal N-9 → N-7 Isomerization of (6-Substituted)-9-(2,3-Dihydro-5H-1,4-Benzodioxepin-3-yl)-9H-Purines in Solution: Mechanistic Aspects
  61. Inhibition of immune complex-mediated neutrophil oxidative metabolism: A pharmacophore model for 3-phenylcoumarin derivatives using GRIND-based 3D-QSAR and 2D-QSAR procedures
  62. Anticancer activity of (1,2,3,5-tetrahydro-4,1-benzoxazepine-3-yl)-pyrimidines and -purines against the MCF-7 cell line: Preliminary cDNA microarray studies
  63. Latest advances on regiospecific microwave-assisted synthesis of novel purine derivatives as antitumor agents
  64. Synthesis and Anticancer Activity of (R,S)‐9‐(2,3‐Dihydro‐1,4‐Benzoxathiin‐3‐ylmethyl)‐9H‐Purines
  65. QSAR as a Tool for the Development of Potent Antiproliferative Agents by Inhibition of Choline Kinase
  66. Antiproliferative Activity, Cell‐Cycle Dysregulation, and Cellular Differentiation: Salicyl‐ and Catechol‐Derived Acyclic 5‐Fluorouracil O,N‐Acetals against Breast Cancer Cells
  67. Corrigendum to “Synthesis and reactivity of (RS)-6-chloro-7- or 9-(1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl)-7H- or 9H-purines bearing a nitrobenzenesulfonyl group on the nitrogen atom”
  68. Synthesis and reactivity of (RS)-6-chloro-7- or 9-(1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl)-7H- or 9H-purines bearing a nitrobenzenesulfonyl group on the nitrogen atom
  69. (2,3-Dihydro-1,4-benzodioxin-2-yl)methanol
  70. 5-Fluorouracil Derivatives Induce Differentiation Mediated by Tubulin and HLA Class I Modulation
  71. Design, Syntheses, Biological Evaluation, and Docking Studies of 2-Substituted 5-Methylsulfonyl-1-Phenyl-1H-Indoles: Potent and Selective in vitro Cyclooxygenase-2 Inhibitors
  72. 6′-Chloro-7- or 9-(2,3-dihydro-5H-4,1-benzoxathiepin-3-yl)-7H- or 9H-purines and their corresponding sulfones as a new family of cytotoxic drugs
  73. 1H and 13C NMR studies of 2‐functionalized 5‐(methylsulfonyl)‐1‐phenyl‐1H‐indoles
  74. Synthesis and anticancer activity studies of novel 1-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)uracil and (6′-substituted)-7- or 9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H- or 9H-purines
  75. A synthetic uracil derivative with antitumor activity through decreasing cyclin D1 and Cdk1, and increasing p21 and p27 in MCF-7 cells
  76. Insight into the Inhibition of Human Choline Kinase: Homology Modeling and Molecular Dynamics Simulations
  77. (Q)SAR Studies to Design New Human Choline Kinase Inhibitors as Antiproliferative Drugs
  78. Study of the Factors that Control the Ratio of the Products between 5-Fluorouracil, Uracil, and Tetrahydrobenzoxazepine O,O-Acetals Bearing Electron-Withdrawing Groups on the Nitrogen Atom
  79. Synthesis of novel 1-(2,3-dihydro-5H-4,1-benzoxathiepin-3-yl)-uracil and -thymine, and their corresponding S-oxidized derivatives
  80. Synthesis and NMR Studies on a C3-Symmetrical Triquinolina Triscationic Bicyclophane
  81. New Medium Oxacyclic O,N-Acetals and Related Open Analogues: Biological Activities
  82. Symmetrical Bis-Quinolinium Compounds:  New Human Choline Kinase Inhibitors with Antiproliferative Activity against the HT-29 Cell Line
  83. Towards a model for the inhibition of choline kinase by a new type of inhibitor
  84. Antitumoural properties of benzannelated seven-membered 5-fluorouracil derivatives and related open analogues. Molecular markers for apoptosis and cell cycle dysregulation
  85. 1H and13C spectral assignment of symmetrical bis[(4-aminosubstituted)quinolinium] derivatives
  86. Substituent effects on the reaction mode between 2-hydroxybenzyl alcohol derivatives and MEM chloride: synthesis and mechanistic aspects of seven- and ten-membered benzo-fused O,O-acetals
  87. Synthesis of tetrahydrobenzoxazepine acetals with electron-withdrawing groups on the nitrogen atom. Novel scaffolds endowed with anticancer activity against breast cancer cells
  88. Growth inhibition, G1-arrest, and apoptosis in MCF-7 human breast cancer cells by novel highly lipophilic 5-fluorouracil derivatives
  89. Influence of the Linker in Bispyridium Compounds on the Inhibition of Human Choline Kinase
  90. Synthesis, Biological Activity, and Quantitative Structure−Activity Relationship Study of Azanaphthalimide and Arylnaphthalimide Derivatives
  91. Inhibition of choline kinase as a specific cytotoxic strategy in oncogene-transformed cells
  92. Conformational Dynamics of a Bispyridinium Cyclophane
  93. Neighbouring-group participation as the key step in the reactivity of acyclic and cyclic salicyl-derived O,O-acetals with 5-fluorouracil. Antiproliferative activity, cell cycle dysregulation and apoptotic induction of new O,N-acetals against breast can...
  94. QSAR-Derived Choline Kinase Inhibitors: How Rational can Antiproliferative Drug Design Be?
  95. Medium benzene-fused oxacycles with the 5-fluorouracil moiety: synthesis, antiproliferative activities and apoptosis induction in breast cancer cells
  96. Bispyridinium Cyclophanes:  Novel Templates for Human Choline Kinase Inhibitors
  97. Synthesis and spectral study of a novel distamycin conjugate
  98. Choline kinase inhibitory effect and antiproliferative activity of new 1,1′,1″-(benzene-1,3,5-triylmethylene)tris?4-[(disubstituted)amino]pyridinium? tribromides
  99. Quantitative structure–activity relationships for a series of symmetrical bisquaternary anticancer compounds
  100. 1H and13C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers
  101. Identification of Novel Cyclooxygenase-2 Selective Inhibitors Using Pharmacophore Models
  102. cis- and trans-1-[3-(Hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidines: a new nucleoside prototype with a seven-membered moiety
  103. LUMO energy of model compounds of bispyridinium compounds as an index for the inhibition of choline kinase
  104. From a Classic Approach in Cancer Chemotherapy Towards Differentiation Therapy: Acyclic and Cyclic Seven-Membered 5-Fluorouracil O,N-Acetals
  105. QSAR of 1,1′-(1,2-ethylenebisbenzyl)bis(4-substitutedpyridinium) dibromides as choline kinase inhibitors: a different approach for antiproliferative drug design
  106. Synthesis, Molecular Modeling, and Pharmacological Testing of Bis-Quinolinium Cyclophanes:  Potent, Non-Peptidic Blockers of the Apamin-Sensitive Ca2+-Activated K+Channel
  107. GR-891: a novel 5-fluorouracil acyclonucleoside prodrug for differentiation therapy in rhabdomyosarcoma cells
  108. Synthesis of novel 5-fluorouracil derivatives with 1,4-oxaheteroepane moieties
  109. Bis-Quinolinium Cyclophanes:  6,10-Diaza-3(1,3),8(1,4)-dibenzena-1,5(1,4)- diquinolinacyclodecaphane (UCL 1684), the First Nanomolar, Non-Peptidic Blocker of the Apamin-Sensitive Ca2+-Activated K+ Channel
  110. Choline kinase inhibitors as a novel approach for antiproliferative drug design
  111. Chemical modifications on the acyclic moiety of 3-(2-hydroxyethoxy)-1-alkoxypropyl nucleobases. 2. Differentiation and growth inhibition in rhabdomyosarcoma cells after exposure to a novel 5-fluorouracil acyclonucleoside
  112. A New Systematization of the Conformational Behavior of Seven-Membered Rings. Isoclinal Anomeric and Related Orientations1
  113. Selection and preliminary characterization of a Pseudomonas aeruginosa strain mineralizing selected isomers in a branchedchain dodecylbenzenesulphonate mixture
  114. 5-fluorouracil derivatives. 1. Acyclonucleosides through a tin (IV) chloride-mediated regiospecific ring opening of alkoxy-1,4-diheteroepanes
  115. Synthesis, Molecular Modeling, and K+ Channel-Blocking Activity of Dequalinium Analogues Having Semirigid Linkers
  116. (MM2) theoretical conformational analysis of seven-membered rings (IV)1: thiepane and 1,4-oxathiepane
  117. Conformational analysis of some 1,4-dioxepane systems. 2. Methoxy-1,4-dioxepanes
  118. Conformational analysis of some 1,4-dioxepines by molecular mechanics (MM2)
  119. Carbon‐13 NMR spectra of 1,3‐dioxolanes. II—determination of α, β and γ parameters for 2‐ and 4‐methyl groups in stereoisomeric derivatives by the pattern molecule method
  120. Carbon‐13 NMR spectra of 1,3‐dioxolanes. I—new parameters for cis‐ and trans‐4‐methyl groups in 2,4‐disubstituted derivatives