All Stories

  1. Molecular Modelling of Novel Selective Inhibitors of Mycobacterium tuberculosis CYP125A1 Protein Based on Natural Product-like Structures

    Article • Catalysts, January 2025, MDPI AG

    Agatha Bastida

  2. Use of supramolecular chemistry based on β-cyclodextrin-grafted chitosan beads to prepare green biocatalytic materials

    Article • Materials Advances, January 2025, Royal Society of Chemistry

    Agatha Bastida

  3. Targeting APC/C Ubiquitin E3-Ligase Activation with Pyrimidinethylcarbamate Apcin Analogues for the Treatment of Breast Cancer

    Article • Biomolecules, November 2024, MDPI AG

    Agatha Bastida

  4. Computational Biology Dynamics of Mps1 Kinase Molecular Interactions with Isoflavones Reveals a Chemical Scaffold with Potential to Develop New Therapeutics for the Treatment of Cancer

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

    Agatha Bastida

  5. Identification of Novel Potential Heparanase Inhibitors Using Virtual Screening

    Article • Catalysts, April 2022, MDPI AG

    Agatha Bastida

  6. A Nanostructured Cu(II) Coordination Polymer Based on Alanine as a Trifunctional Mimic Enzyme and Efficient Composite in the Detection of Sphingobacteria

    Article • Bioinorganic Chemistry and Applications, April 2022, Hindawi Publishing Corporation

    Agatha Bastida

  7. Identification of New Dioxygenases Able to Recognize Polycyclic Aromatic Hydrocarbons with High Aromaticity

    Article • Catalysts, March 2022, MDPI AG

    Agatha Bastida

  8. Biodiversidad bacteriana presente en suelos contaminados con hidrocarburos para realizar biorremediación

    Article • Revista de Ciencias Ambientales, January 2022, Universidad Nacional de Costa Rica

    Agatha Bastida

  9. Novel SH-SAW Biosensors for Ultra-Fast Recognition of Growth Factors

    Article • Biosensors, December 2021, MDPI AG

    Agatha Bastida

  10. Preparation and Characterization of Aminoglycoside-Loaded Chitosan/Tripolyphosphate/Alginate Microspheres against E. coli

    Article • Polymers, September 2021, MDPI AG

    Agatha Bastida, Dr Eduardo García-Junceda

  11. De Novo Design of Selective Quadruplex–Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot‐Spot

    Article • Chemistry - A European Journal, February 2021, Wiley

    Agatha Bastida

  12. Front Cover: De Novo Design of Selective Quadruplex–Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot‐Spot (Chem. Eur. J. 20/2021)

    Article • Chemistry - A European Journal, February 2021, Wiley

    Agatha Bastida

  13. Deciphering Structural Determinants in Chondroitin Sulfate Binding to FGF-2: Paving the Way to Enhanced Predictability of Their Biological Functions

    Article • Polymers, January 2021, MDPI AG

    Dr Eduardo García-Junceda, Agatha Bastida

  14. Heparanized chitosans: towards the third generation of chitinous biomaterials

    Article • Materials Horizons, January 2021, Royal Society of Chemistry

    Agatha Bastida, Dr Eduardo García-Junceda

  15. Interfering with mRNA Methylation by the 2′O-Methyltransferase (NSP16) from SARS-CoV-2 to Tackle the COVID-19 Disease

    Article • Catalysts, September 2020, MDPI AG

    Agatha Bastida

  16. Biocatalysis: Chemical Biosynthesis

    Article • Catalysts, April 2020, MDPI AG

    Agatha Bastida

  17. Inhibition–Disruption of Candida glabrata Biofilms: Symmetrical Selenoesters as Potential Anti-Biofilm Agents

    Article • Microorganisms, December 2019, MDPI AG

    Agatha Bastida

  18. Pseudokinases: From Allosteric Regulation of Catalytic Domains and the Formation of Macromolecular Assemblies to Emerging Drug Targets

    Article • Catalysts, September 2019, MDPI AG

    Agatha Bastida

  19. Synthesis of Ring II/III Fragment of Kanamycin: A New Minimum Structural Motif for Aminoglycoside Recognition

    Article • Antibiotics, August 2019, MDPI AG

    Agatha Bastida

  20. Chondroitin Sulfate-Degrading Enzymes as Tools for the Development of New Pharmaceuticals

    Article • Catalysts, April 2019, MDPI AG

    Agatha Bastida

  21. A Molecular Modeling Approach to Identify Novel Inhibitors of the Major Facilitator Superfamily of Efflux Pump Transporters

    Article • Antibiotics, March 2019, MDPI AG

    Agatha Bastida

  22. Theoretical Studies on Mechanism of Inactivation of Kanamycin A by 4′-O-Nucleotidyltransferase

    Article • Frontiers in Chemistry, January 2019, Frontiers

    Agatha Bastida

  23. A holistic approach to unravelling chondroitin sulfation: Correlations between surface charge, structure and binding to growth factors

    Article • Carbohydrate Polymers, December 2018, Elsevier

    Dr Mar Fernandez-Gutierrez, Dr Eduardo García-Junceda, Agatha Bastida

  24. Synthesis, physicochemical characterization and biological evaluation of chitosan sulfate as heparan sulfate mimics

    Article • Carbohydrate Polymers, July 2018, Elsevier

    Dr Eduardo García-Junceda, Agatha Bastida

  25. Biochemical profiling of rat embryonic stem cells grown on electrospun polyester fibers using synchrotron infrared microspectroscopy

    Article • Analytical and Bioanalytical Chemistry, April 2018, Springer Science + Business Media

    Agatha Bastida, Dr Eduardo García-Junceda

  26. Overcoming Aminoglycoside Enzymatic Resistance: Design of Novel Antibiotics and Inhibitors

    Article • Molecules, January 2018, MDPI AG

    Agatha Bastida

  27. Assembly of glycoamino acid building blocks: a new strategy for the straightforward synthesis of heparan sulfate mimics

    Article • Chemical Communications, January 2018, Royal Society of Chemistry

    Dr Eduardo García-Junceda, Agatha Bastida

  28. Highly improved enzymatic peptide synthesis by using biphasic reactors

    Article • Biocatalysis and Biotransformation, May 2017, Taylor & Francis

    Professor JOSE M. GUISAN, Dr Eduardo García-Junceda, Agatha Bastida

  29. Microfluidic Reactors Based on Rechargeable Catalytic Porous Supports: Heterogeneous Enzymatic Catalysis via Reversible Host–Guest Interactions

    Article • ACS Applied Materials & Interfaces, January 2017, American Chemical Society (ACS)

    Agatha Bastida

  30. Finding the Right Candidate for the Right Position: A Fast NMR-Assisted Combinatorial Method for Optimizing Nucleic Acids Binders

    Article • Journal of the American Chemical Society, May 2016, American Chemical Society (ACS)

    Agatha Bastida

  31. Selective modification of the 3′′-amino group of kanamycin prevents significant loss of activity in resistant bacterial strains

    Article • Organic & Biomolecular Chemistry, January 2016, Royal Society of Chemistry

    Agatha Bastida

  32. 6-O-Nucleotidyltransferase: an aminoglycoside-modifying enzyme specific for streptomycin/streptidine

    Article • MedChemComm, January 2016, Royal Society of Chemistry

    Dr Eduardo García-Junceda, Agatha Bastida

  33. Targeting RNA with Aminoglycosides: Current Improvements in their Synthesis and Biological Activity

    Article • June 2015, Bentham Science Publishers

    Agatha Bastida

  34. Modulating Weak Interactions for Molecular Recognition: A Dynamic Combinatorial Analysis for Assessing the Contribution of Electrostatics to the Stability of CH-π Bonds in Water

    Article • Angewandte Chemie, February 2015, Wiley

    Agatha Bastida

  35. A thorough experimental study of CH/π interactions in water: quantitative structure–stability relationships for carbohydrate/aromatic complexes

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Agatha Bastida

  36. Aryl Sulfotransferase fromHaliangium ochraceum: A Versatile Tool for the Sulfation of Small Molecules

    Article • ChemCatChem, March 2014, Wiley

    Dr Eduardo García-Junceda, Agatha Bastida

  37. Chemical Interrogation of Drug/RNA Complexes: From Chemical Reactivity to Drug Design

    Article • Angewandte Chemie, February 2013, Wiley

    Agatha Bastida

  38. Multiple Keys for a Single Lock: The Unusual Structural Plasticity of the Nucleotidyltransferase (4′)/Kanamycin Complex

    Article • Chemistry - A European Journal, February 2012, Wiley

    Agatha Bastida

  39. Synthesis, biological assessment and molecular modeling of new multipotent MAO and cholinesterase inhibitors as potential drugs for the treatment of Alzheimer’s disease

    Article • European Journal of Medicinal Chemistry, September 2011, Elsevier

    Agatha Bastida

  40. An Efficient and General Route to the Synthesis of Novel Aminoglycosides for RNA Binding

    Article • Synlett, January 2011, Thieme Publishing Group

    Agatha Bastida

  41. Cholinergic and neuroprotective drugs for the treatment of Alzheimer and neuronal vascular diseases. II. Synthesis, biological assessment, and molecular modelling of new tacrine analogues from highly substituted 2-aminopyridine-3-carbonitriles

    Article • Bioorganic & Medicinal Chemistry, January 2011, Elsevier

    Agatha Bastida

  42. Role of Aromatic Rings in the Molecular Recognition of Aminoglycoside Antibiotics: Implications for Drug Design

    Article • Journal of the American Chemical Society, August 2010, American Chemical Society (ACS)

    Agatha Bastida

  43. The Unusual Nucleotide Recognition Properties of the Resistance Enzyme ANT(4′): Inorganic Tri/Polyphosphate as a Substrate for Aminoglycoside Inactivation

    Article • Chemistry - A European Journal, May 2010, Wiley

    Agatha Bastida

  44. Structure-Based Design of Highly Crowded Ribostamycin/Kanamycin Hybrids as a New Family of Antibiotics

    Article • Chemistry - A European Journal, March 2010, Wiley

    Agatha Bastida

  45. Role of Conserved Salt Bridges in Homeodomain Stability and DNA Binding

    Article • Journal of Biological Chemistry, August 2009, Elsevier

    Agatha Bastida

  46. From Kinase to Cyclase: An Unusual Example of Catalytic Promiscuity Modulated by Metal Switching

    Article • ChemBioChem, January 2009, Wiley

    Dr Eduardo García-Junceda, Agatha Bastida

  47. NMR-Based Analysis of Aminoglycoside Recognition by the Resistance Enzyme ANT(4′): The Pattern of OH/NH3+ Substitution Determines the Preferred Antibiotic Binding Mode and Is Critical for Drug Inactivation

    Article • Journal of the American Chemical Society, March 2008, American Chemical Society (ACS)

    Agatha Bastida

  48. The Pattern of Distribution of Amino Groups Modulates the Structure and Dynamics of Natural Aminoglycosides:  Implications for RNA Recognition

    Article • Journal of the American Chemical Society, February 2007, American Chemical Society (ACS)

    Agatha Bastida

  49. Rescue of the streptomycin antibiotic activity by using streptidine as a “decoy acceptor” for the aminoglycoside-inactivating enzyme adenyl transferase

    Article • Chemical Communications, January 2007, Royal Society of Chemistry

    Dr Eduardo García-Junceda, Agatha Bastida

  50. A simple NMR analysis of the protonation equilibrium that accompanies aminoglycoside recognition: Dramatic alterations in the neomycin-B protonation state upon binding to a 23-mer RNA aptamer

    Article • Chemical Communications, January 2007, Royal Society of Chemistry

    Agatha Bastida

  51. Studies on the Conformational Features of Neomycin-B and its Molecular Recognition by RNA and Bacterial Defense Proteins

    Article • January 2007, Springer Science + Business Media

    Agatha Bastida

  52. Exploring the Use of Conformationally Locked Aminoglycosides as a New Strategy to Overcome Bacterial Resistance

    Article • Journal of the American Chemical Society, January 2006, American Chemical Society (ACS)

    Dr Jose Luis Chiara, Dr Eduardo García-Junceda, Agatha Bastida

  53. Molecular Recognition of Aminoglycoside Antibiotics by Bacterial Defence Proteins: NMR Study of the Structural and Conformational Features of Streptomycin Inactivation byBacillus subtilis Aminoglycoside-6-adenyl Transferase

    Article • Chemistry - A European Journal, August 2005, Wiley

    Dr Eduardo García-Junceda, Agatha Bastida

  54. A Simple Structural-Based Approach to Prevent Aminoglycoside Inactivation by Bacterial Defense Proteins. Conformational Restriction Provides Effective Protection against Neomycin-B Nucleotidylation by ANT4

    Article • Journal of the American Chemical Society, June 2005, American Chemical Society (ACS)

    Dr Jose Luis Chiara, Dr Eduardo García-Junceda, Agatha Bastida

  55. Structure / Activity Relationship of Carba- and C-Fucopyranosides as Inhibitors of an α 1,6-Fucosyltransferase by Molecular Modeling and Kinetic Studies

    Article • Letters in Organic Chemistry, May 2005, Bentham Science Publishers

    Dr Eduardo García-Junceda, Agatha Bastida

  56. Synthesis, Inhibition Properties, and Theoretical Study of the New Nanomolar Trehalase Inhibitor 1-Thiatrehazolin: Towards a Structural Understanding of Trehazolin Inhibition

    Article • ChemBioChem, November 2004, Wiley

    Dr Jose Luis Chiara, Agatha Bastida

  57. Enzymes in the synthesis of bioactive compounds

    Article • Bioorganic & Medicinal Chemistry, April 2004, Elsevier

    Dr Eduardo García-Junceda, Agatha Bastida

  58. In Vivo Chaperone-Assisted Folding of α-1,6-Fucosyltransferase from Rhizobium sp.

    Article • ChemBioChem, June 2003, Wiley

    Dr Eduardo García-Junceda, Agatha Bastida

  59. Synthesis of the aminocyclopentitol moieties of the hopanoids of Zymomonas mobilis and ‘Anacystis montana’

    Article • Chemical Communications, January 2003, Royal Society of Chemistry

    Dr Jose Luis Chiara, Agatha Bastida

  60. Regioselective enzymatic hydrolysis of acetylated pyranoses and pyranosides using immobilised lipases. An easy chemoenzymatic synthesis of α- and β-d-glucopyranose acetates bearing a free secondary C-4 hydroxyl group

    Article • Carbohydrate Research, October 2002, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  61. C-Terminal truncation of α 1,6-fucosyltransferase from Rhizobium sp. does not annul the transferase activity of the enzyme

    Article • Bioorganic & Medicinal Chemistry, March 2002, Elsevier

    Dr Eduardo García-Junceda, Agatha Bastida

  62. Modulation of lipase properties in macro-aqueous systems by controlled enzyme immobilization: enantioselective hydrolysis of a chiral ester by immobilized Pseudomonas lipase

    Article • Enzyme and Microbial Technology, March 2001, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  63. Biocatalyst engineering exerts a dramatic effect on selectivity of hydrolysis catalyzed by immobilized lipases in aqueous medium

    Article • Journal of Molecular Catalysis B Enzymatic, January 2001, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  64. Regioselective hydrolysis of peracetylated α-D-glucopyranose catalyzed by immobilized lipases in aqueous medium. A facile preparation of useful intermediates for oligosaccharide synthesis

    Article • Bioorganic & Medicinal Chemistry Letters, February 1999, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  65. Reactivation strategies by unfolding/refolding of chymotrypsin derivatives after inactivation by organic solvents

    Article • Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, April 1997, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  66. Syntheses of pharmaceutical oligosaccharides catalyzed by immobilized-stabilized derivatives of different β-galactosidases

    Article • Journal of Molecular Catalysis, October 1993, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  67. Preparation of activated supports containing low pK amino groups. A new tool for protein immobilization via the carboxyl coupling method

    Article • Enzyme and Microbial Technology, July 1993, Elsevier

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  68. Stabilization of Soluble Proteins by Intramolecular Crosslinking with Polyfunctional Macromolecules. Poly-(Glutaraldehyde-Like) Structure

    Article • January 1993, Elsevier

    Agatha Bastida

  69. Enzyme Stabilization by Multipoint Covalent Attachment to Activated Pre-Existing Supports

    Article • January 1993, Elsevier

    Agatha Bastida

  70. Fully Dispersed and Covalently Attached Chymotrypsin Derivatives as Industrial Catalysts in Biphasic Systems.

    Article • Annals of the New York Academy of Sciences, November 1992, Wiley

    Dr ROBERTO FERNANDEZ-LAFUENTE, Agatha Bastida

  71. Effect of immiscible organic solvents on activity/stability of native chymotrypsin and immobilized-stabilized derivatives

    Article • Biotechnology and Bioengineering, January 1992, Wiley

    Agatha Bastida

  72. Insolubilized Enzyme Derivatives in Organic Solvents: Mechanisms of Inactivation and Strategies for Reactivation

    Article • January 1992, Elsevier

    Agatha Bastida

  73. Immobilization-stabilization of α-chymotrypsin by covalent attachment to aldehyde-agarose gels

    Article • Biotechnology and Bioengineering, December 1991, Wiley

    Agatha Bastida