All Stories

  1. In vitro development of imipenem/relebactam resistance in KPC-producing Klebsiella pneumoniae involves multiple mutations including OmpK36 disruption and KPC modification
  2. Interplay between OXA-10 β-Lactamase Production and Low Outer-Membrane Permeability in Carbapenem Resistance in Enterobacterales
  3. Antimicrobial Activity of Cefiderocol against the Carbapenemase-Producing Enterobacter cloacae Complex and Characterization of Reduced Susceptibility Associated with Metallo-β-Lactamase VIM-1
  4. Siderophores: Chemical tools for precise antibiotic delivery
  5. Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme—A molecular insight†
  6. Singlet oxygen and radical-mediated mechanisms in the oxidative cellular damage photosensitized by the protease inhibitor simeprevir
  7. In Silico Simulations and Functional Cell Studies Evidence Similar Potency and Distinct Binding of Pacific and Caribbean Ciguatoxins
  8. Regioselective Synthesis of 2-Aryl-5-cyano-1-(2-hydroxyaryl)-1H-imidazole-4-carboxamides Self-Assisted by a 2-Hydroxyaryl Group
  9. Discovery of 3H-pyrrolo[2,3-c]quinolines with activity against Mycobacterium tuberculosis by allosteric inhibition of the glutamate-5-kinase enzyme
  10. Selection of AmpC β-Lactamase Variants and Metallo-β-Lactamases Leading to Ceftolozane/Tazobactam and Ceftazidime/Avibactam Resistance during Treatment of MDR/XDR Pseudomonas aeruginosa Infections
  11. Switching from ultrafast electron transfer to proton transfer in excited drug–protein complexes upon biotransformation
  12. 6-Halopyridylmethylidene Penicillin-Based Sulfones Efficiently Inactivate the Natural Resistance of Pseudomonas aeruginosa to β-Lactam Antibiotics
  13. Activity of Imipenem, Meropenem, Cefepime, and Sulbactam in Combination with the β-Lactamase Inhibitor LN-1-255 against Acinetobacter spp.
  14. Protein Binding of Lapatinib and Its N- and O-Dealkylated Metabolites Interrogated by Fluorescence, Ultrafast Spectroscopy and Molecular Dynamics Simulations
  15. Characterization of Locally Excited and Charge‐Transfer States of the Anticancer Drug Lapatinib by Ultrafast Spectroscopy and Computational Studies
  16. Molecular mechanisms driving thein vivodevelopment of OXA-10-mediated resistance to ceftolozane/tazobactam and ceftazidime/avibactam during treatment of XDRPseudomonas aeruginosainfections
  17. Molecular and biochemical insights into the in vivo evolution of AmpC-mediated resistance to ceftolozane/tazobactam during treatment of an MDR Pseudomonas aeruginosa infection
  18. Cover Feature: Self‐Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product (Chem. Eur. J. 36/2020)
  19. Self‐Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product
  20. 6-Arylmethylidene Penicillin-Based Sulfone Inhibitors for Repurposing Antibiotic Efficiency in Priority Pathogens
  21. Investigation of metabolite-protein interactions by transient absorption spectroscopy and in silico methods
  22. β-Lactamase Inhibitors To Restore the Efficacy of Antibiotics against Superbugs
  23. Challenging Antimicrobial Susceptibility and Evolution of Resistance (OXA-681) during Treatment of a Long-Term Nosocomial Infection Caused by a Pseudomonas aeruginosa ST175 Clone
  24. Therapeutic Efficacy of LN-1-255 in Combination with Imipenem in Severe Infection Caused by Carbapenem-Resistant Acinetobacter baumannii
  25. Recently developed synthetic compounds with anti-infective activity
  26. Photobinding of Triflusal to Human Serum Albumin Investigated by Fluorescence, Proteomic Analysis, and Computational Studies
  27. Hydroxylammonium derivatives for selective active-site lysine modification in the anti-virulence bacterial target DHQ1 enzyme
  28. Synthesis of rigidified shikimic acid derivatives by ring-closing metathesis to imprint inhibitor efficacy against shikimate kinase enzyme
  29. Identification of a common recognition center for a photoactive non-steroidal antiinflammatory drug in serum albumins of different species
  30. The Inhibition of Lipid A Biosynthesis-The Antidote Against Superbugs?
  31. Photogeneration of Quinone Methides as Latent Electrophiles for Lysine Targeting
  32. A combined photophysical and computational study on the binding of mycophenolate mofetil and its major metabolite to transport proteins
  33. QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes
  34. 31.5.1.2.7 Synthesis of Phenols and Phenolates by Elimination (Update 2018)
  35. 31.5.1.1.18 Synthesis of Phenols and Phenolates by Substitution (Update 2018)
  36. 31.5.1.3.6 Synthesis of Phenols and Phenolates by Rearrangement (Update 2018)
  37. 31.5.1.4.3 Synthesis of Phenols and Phenolates with Retention of the Functional Group (Update 2018)
  38. A New Pathway for Protein Haptenation by β-Lactams
  39. Reducing the Flexibility of Type II Dehydroquinase for Inhibition: A Fragment-Based Approach and Molecular Dynamics Study
  40. Antibiotic adjuvants – A strategy to unlock bacterial resistance to antibiotics
  41. Activity of the β-Lactamase Inhibitor LN-1-255 against Carbapenem-Hydrolyzing Class D β-Lactamases from Acinetobacter baumannii
  42. Mapping a protein recognition centre with chiral photoactive ligands. An integrated approach combining photophysics, reactivity, proteomics and molecular dynamics simulation studies
  43. Frontispiece: Freezing the Dynamic Gap for Selectivity: Motion-Based Design of Inhibitors of the Shikimate Kinase Enzyme
  44. Freezing the Dynamic Gap for Selectivity: Motion-Based Design of Inhibitors of the Shikimate Kinase Enzyme
  45. Targeting the Motion of Shikimate Kinase: Development of Competitive Inhibitors that Stabilize an Inactive Open Conformation of the Enzyme
  46. LN-1-255, a penicillanic acid sulfone able to inhibit the class D carbapenemase OXA-48
  47. ChemInform Abstract: Designing Irreversible Inhibitors - Worth the Effort?
  48. Study of the Phosphoryl-Transfer Mechanism of Shikimate Kinase by NMR Spectroscopy
  49. Degradation of the active species in the catalytic system Pd(OAc)2/NEt3
  50. Inhibition of Shikimate Kinase and Type II Dehydroquinase for Antibiotic Discovery: Structure-Based Design and Simulation Studies
  51. Designing Irreversible Inhibitors-Worth the Effort?
  52. Specific chemical modification of bacterial type I dehydroquinase – opportunities for drug discovery
  53. Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes
  54. Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct
  55. Using Surface Enhanced Raman Scattering to Analyze the Interactions of Protein Receptors with Bacterial Quorum Sensing Modulators
  56. Irreversible covalent modification of type I dehydroquinase with a stable Schiff base
  57. Bridging the Dimensions: How 2D Structure-activity Relationships and 3D Structural Binding Affinity help to Guide Medicinal Chemistry
  58. Total Hydrolysis of a New Imidazolidine Induced by ZnII
  59. Insights into substrate binding and catalysis in bacterial type I dehydroquinase
  60. Exploring the Water-Binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-Based Design of Inhibitors
  61. Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases
  62. Dual role of 2-tosylaminomethylaniline as a ligand and a nucleophile in the copper-mediated oxidation of methanol
  63. Irreversible covalent modification of type I dehydroquinase: Structure-based design and simulation studies
  64. Predicting ligand binding affinity: A comparative study on the use of docking vs. Bayesian categorization and random forest recursive partitioning
  65. A convenient Pd-mediated oxidation of 4-methylbenzyl alcohol
  66. Computational studies on the palladium-mediated oxidation of methanol to formaldehyde
  67. Copper-mediated aerobic synthesis of 3-tosyl-1,2,3,4-tetrahydroquinazoline from 2 tosylaminomethylaniline and methanol
  68. Mechanistic insights into a Zn-assisted ring-chain tautomerism process involving a 1,2,3,4-tetrahydroquinazoline and a Schiff base
  69. Mycobacterium tuberculosis Shikimate Kinase Inhibitors: Design and Simulation Studies of the Catalytic Turnover
  70. Comparative Binding Energy (COMBINE) Analysis for Understanding the Binding Determinants of Type II Dehydroquinase Inhibitors
  71. Serendipitous formation of 3-tosyl-1,2,3,4-tetrahydroquinazoline
  72. Design and investigation of multivalent ligands for the detection and treatment of diseases
  73. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
  74. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
  75. Mechanistic Basis of the Inhibition of Type II Dehydroquinase by (2S)- and (2R)-2-Benzyl-3-dehydroquinic Acids
  76. ChemInform Abstract: Six-Membered Heterocycles: Pyridines
  77. Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline
  78. Structural variety of zinc and copper complexes based on a 2,3-disubstituted 1,2,3,4-tetrahydroquinazoline ligand
  79. Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency
  80. Benzenediazonium-2-carboxylate
  81. A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors
  82. Six-Membered Heterocycles: Pyridines
  83. C. González-Bello
  84. Tetrahydrobenzothiophene Derivatives: Conformationally Restricted Inhibitors of Type II Dehydroquinase
  85. Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)‐2‐Benzyl‐3‐dehydroquinic Acids
  86. ChemInform Abstract: Synthesis of 4-Deoxyquinic, 4-Deoxyshikimic and 4-Deoxy-3-dehydroshikimic Acid.
  87. Functional desymmetrization of 1,3-dioximes for the obtention of 1,2,3-hetero trisubstituted carbocycles
  88. Chiral Aziridination of Olefins Using a Chiral Sulfinamide as the Nitrogen Source
  89. Synthesis and Biological Evaluation of New Nanomolar Competitive Inhibitors of Helicobacter pylori Type II Dehydroquinase. Structural Details of the Role of the Aromatic Moieties with Essential Residues
  90. 2-Substituted-3-Dehydroquinic Acids as Potent Competitive Inhibitors of Type II Dehydroquinase
  91. A selective resin for trans-diequatorial-1,2-diols
  92. ChemInform Abstract: The Conformational Rigidity of Butane-1,2-diacetals as a Powerful Synthetic Tool
  93. Stereoselective Synthesis of Novel Cyclic γ-Amino Acids and Triazole Derivatives
  94. Competitive Inhibitors of Helicobacter pylori Type II Dehydroquinase: Synthesis, Biological Evaluation, and NMR Studies
  95. Editorial [ The Medicinal Chemistry of Anti-Infectious Agents Guest Editor: Concepcion Gonzalez-Bello ]
  96. The conformational rigidity of butane-1,2-diacetals as a powerful synthetic tool
  97. Progress in Type II Dehydroquinase Inhibitors: From Concept to Practice
  98. Nanomolar Competitive Inhibitors of Mycobacterium tuberculosis and Streptomyces coelicolor Type II Dehydroquinase
  99. Cover Picture: Nanomolar Competitive Inhibitors of Mycobacterium tuberculosis and Streptomyces coelicolor Type II Dehydroquinase (ChemMedChem 2/2007)
  100. Nanomolar Inhibition of Type II Dehydroquinase Based on the Enolate Reaction Mechanism
  101. Progress in type II dehydroquinase inhibitors: From concept to practice
  102. Determination of the Bound Conformation of a Competitive Nanomolar Inhibitor of Mycobacterium tuberculosis Type II Dehydroquinase by NMR Spectroscopy
  103. Synthesis of Spiro Carba-Sugars by Ring-Closing Metathesis
  104. Structure-Based Design, Synthesis, and Biological Evaluation of Inhibitors of Mycobacterium tuberculosis Type II Dehydroquinase
  105. Rational design of new bifunctional inhibitors of type II dehydroquinase
  106. Synthesis of Amino Carba Sugars and Conformationally Restricted Polyhydroxyγ-Amino Acids from (−)-Quinic Acid
  107. Parallel Solid-Phase Synthesis and Evaluation of Inhibitors of Streptomyces coelicolor Type II Dehydroquinase
  108. Synthesis of Polyhydroxycyclohexanes and Relatives from (−)-Quinic Acid
  109. Mild, Aprotic Synthesis of 1,2‐Diacetals.
  110. Design, synthesis and evaluation of bifunctional inhibitors of type II dehydroquinase
  111. Mild, aprotic synthesis of 1,2-diacetals
  112. ChemInform Abstract: Synthesis of Carba‐Sugars from (‐)‐Quinic Acid.
  113. Synthesis of carba-sugars from (−)-quinic acid
  114. Benzenediazonium-2-carboxylate
  115. Irreversible inhibition of type I dehydroquinase by substrates for type II dehydroquinase
  116. Mechanistic studies on type I and type II dehydroquinase with (6 R )- and (6 S )-6-fluoro-3-dehydroquinic acids
  117. Synthesis of phenanthridones, quinolinequinones and 7-azasteroids
  118. Synthesis of 4-deoxyquinic, 4-deoxyshikimic and 4-deoxy-3-dehydroshikimic acids
  119. Synthesis of 2-Bromo- and 2-Fluoro-3-dehydroshikimic Acids and 2-Bromo- and 2-Fluoroshikimic Acids Using Synthetic and Enzymatic Approaches
  120. Synthesis of (2R)-2-bromodehydroquinic acid and (2R)-2-fluorodehydroquinic acid
  121. Synthesis of tetrahydroquinolines, hexahydrobenzoindolizines and an aryl phosphonate linker for the generation of catalytic antibodies
  122. Evidence from kinetic isotope studies for an enolate intermediate in the mechanism of type II dehydroquinases
  123. A new intramolecular aryne cycloaddition approach to lycorines
  124. Synthesis of lycorines by intramolecular aryne cycloadditions
  125. Total Synthesis of (-)-Neplanocin A from L-Ribulose
  126. New Methods for Synthesis of Amaryllidaceae Alkaloids