Selected Publications

Chemical sensors for the early diagnosis of bacterial resistance to β-lactam antibiotics

Rafael Canabal and Concepción González-Bello*

Bioorg. Chem. 2024, 150, 107528 (https://doi.org/10.1016/j.bioorg.2024.107528)

Novel Penicillin-based Sulfone-siderophore Conjugates for Restoring β-Lactam Antibiotic Efficacy

Diana Rodríguez, Emilio Lence, Juan Carlos Vázquez-Ucha, Alejandro Beceiro, and Concepción González-Bello*

ACS Omega 2024, 9, 26484-26494 (https://doi.org/10.1021/acsomega.4c02984)

In vitro development of imipenem/relebactam resistance in KPC-producing Klebsiella pneumoniae involves multiple mutations including OmpK36 disruption and KPC modification

Eva Gato, Paula Guijarro-Sánchez, Isaac Alonso-García, Rosa Pedraza-Merino, Adrián Conde, Emilio Lence, Soraya Rumbo-Feal, Andrea Peña-Escolano, Cristina Lasarte-Monterrubio, Tania Blanco-Martín, Ana Fernández-González, M. del Carmen Fernández-López, Romina Maceiras, Marta Martínez-Guitián, Juan Carlos Vázquez-Ucha, Luis Martínez-Martínez, Concepción González-Bello, Jorge Arca-Suárez, Alejandro Beceiro and Germán Bou

Int. J. Antimicrob. Agents 2023, 62, 106935 (link)

Siderophores: Chemical Tools for Precise Antibiotic Delivery

Diana Rodríguez and Concepción González-Bello*

Bioorg. Med. Chem. Lett. 2023, 87, 129282 doi: 10.1016/j.bmcl.2023.129282 (link)

Special issue "Celebrating the Contributions of Women in Medicinal Chemistry"

Quinate-Based Ligands for Irreversible Inactivation of the Bacterial Virulence Factor DHQ1 Enzyme – A Molecular Insight

Ángela Rodríguez, María Maneiro, Emilio Lence, José M. Otero, Mark J. van Raaij, Paul Thompson, Alastair R. Hawkins, and Concepción González-Bello*

Front. Mol. Biosci. 2023, 10, 1111598; doi: 10.3389/fmolb.2023.1111598 (link)

Singlet Oxygen and Radical-Mediated Mechanisms in the Oxidative Cellular Damage Photosensitized by the Protease Inhibitor Simeprevir

Guillermo Garcia-Lainez, Meryem El Ouardi, Alejandro Moreno, Emilio Lence, Concepción González-Bello, Miguel A. Miranda and Inmaculada Andreu

Free Radic. Biol. Med. 2023, 194, 42-51 (link)

In silico simulations and functional cell studies evidence similar potency and distinct binding of Pacific and Caribbean ciguatoxins

Sandra Raposo-García, David Castro, Emilio Lence, Pablo Estévez, José Manuel Leão, Concepción González-Bello,* Ana Gago-Martínez,* M. Carmen Louzao, Carmen Vale and Luis M. Botana*

Expos.  Health 2023, 15, 641-660 (doi: 10.1007/s12403-022-00513-0)

Switching from ultrafast electron transfer to proton transfer in excited drug-protein complexes upon biotransformation

Lorena Tamarit, Meryem El Ouardi, Emilio Lence, Inmaculada Andreu, Concepción González-Bello,* Ignacio Vayá,* and Miguel A. Miranda*

Chem. Sci. 2022, 13, 9644 - 9654 (link)

Discovery of 3H-pyrrolo[2,3-c]quinolines with Activity Against Mycobacterium tuberculosis by Allosteric Inhibition of the Glutamate-5-Kinase Enzyme

M. Panciera, E. Lence, A. Rodríguez, B. Gracia, J. A. Aínsa, C. Marco-Marín, V. Rubio, C. R. D. Correia, and C. González-Bello*

Eur. J. Med. Chem.  2022,  232, 114206 (link)

6-Halopyridylmethylidene penicillin-based sulfones efficiently inactivate the natural resistance of Pseudomonas aeruginosa to β-lactam antibiotics

J. C. Vázquez-Ucha, D. Rodríguez, C. Lasarte-Monterrubio, E. Lence, J. Arca-Suarez, M. Maneiro, E. Gato, A. Perez, M. Martínez-Guitián, C. Juan, A. Oliver, G. Bou, C. González-Bello,* and A. Beceiro*

J. Med. Chem.  2021, 64, 6310-6328  (link)

Bicyclic Boronate β-Lactamase Inhibitors - the Present Hope Against Deadly Bacterial Pathogens

E. Lence and C. González-Bello*

Adv. Therap.  2021, 4, 2000246 (doi: 10.1002/adtp.2000246).

Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product

E. Lence, M. Maneiro, M. Sanz-Gaitero, M. J. van Raaij, P. Thompson, A. R. Hawkins and C. González-Bello*

Chem. Eur. J.  2020, 26, 8035-8044 (doi 10.1002/chem.202000759) (link)

Characterization of the Locally Excited and Charge-transfer States of the Anticancer Drug Lapatinib by Ultrafast Spectroscopy and Computational Studies

I. Vayá, I.Andreu, E. Lence, C. González-Bello, M. C. Cuquerella, M. Navarrete-Miguel, D. Roca-Sanjuán, M. A. Miranda

Chem. Eur. J.  2020, 26,  15922-15930

doi 10.1002/chem.202001336 (link).

6-Arylmethylidene Penicillin-based Sulfone Inhibitors for Repurposing Antibiotic Efficiency in Priority Pathogens

D. Rodríguez, M. Maneiro, J. C. Vázquez-Ucha, A. Beceiro, and C. González-Bello*

J. Med. Chem. 2020, 63, 3737-3755 (doi: 10.1021/acs.jmedchem.0c00127) (link)

β-Lactamase Inhibitors to Restore the Efficacy of Antibiotics against Superbugs

C. González-Bello,* D. Rodríguez, M. Pernas, A. Rodríguez, and E. Colchón.

J. Med. Chem. 2020, 63, 1859-1881 (link)

Special issue "Women in Medicinal Chemistry"

Therapeutic Efficacy of LN-1-255 in Combination with Imipenem in Severe Infection Caused by Carbapenem-resistant Acinetobacter baumannii

J. C. Vázquez-Ucha, M. Martínez-Guitián, M. Maneiro, K. Conde-Pérez,  L. Álvarez-Fraga, G. Torrens, A. Oliver, J. Buynak, R.A. Bonomo, G. Bou, C. González-Bello, M. Poza and A. Beceiro.

Antimicrobial Agents and Chemotherapy 2019, 63, e01092-19 (DOI: 10.1128/AAC.01092-19).

Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme

M. Maneiro, E. Lence, M. Sanz-Gaitero, J. M. Otero, M. J. van Raaij, P. Thompson, A. R. Hawkins and C. González-Bello*

Organic Chemistry Frontiers 2019, 6, 3127-3135 (link).

Synthesis of Rigidified Shikimic Acid Derivatives by Ring-Closing Metathesis to Imprint Inhibitor Efficacy against Shikimate Kinase

M. Pernas, B. Blanco, E. Lence, P. Thompson, A. R. Hawkins and C. González-Bello*

Organic Chemistry Frontiers 2019, 6, 2514-2528  (link)

Identification of a Common Recognition Center for a Photoactive Non-steroidal Antiinflammatory Drug in Serum Albumins of Different Species

O. Molins-Molina, E. Lence, D. Limones-Herrero, C. González-Bello, M. A. Miranda* and M. C. Jiménez*

Organic Chemistry Frontiers 2019, 6, 99-109 (link)

The Inhibition of Lipid A Biosynthesis - The Antidote Against Superbugs?

 C. González-Bello*

Advanced Therapeutics 2019, 2, 1800117 (doi: 10.1002/adtp.201800117 (link)

Photogeneration of Quinone-Methides as Latent Electrophiles for Lysine-Targeting

R. Pérez-Ruiz, Ó. Molins-Molina, E. Lence, C. González-Bello,* M. A. Miranda,* and M. C. Jiménez*

Journal of Organic  Chemistry 2018, 83, 13019-13029  (link)

 QM/MM Simulations Identify the Determinants of Catalytic Activity Differences Between Type II Dehydroquinase Enzymes

E. Lence, M. W. van der Kamp,* C. González-Bello,* and A. J. Mulholland*

Organic Biomolecular Chemistry 2018, 16, 4443-4455 (link). 

Antibiotic Adjuvants - A Strategy to Unlock Bacterial Resistance to Antibiotics

C. González-Bello*

Bioorganic & Medicinal Chemistry Letters 2017, 27, 4221-4228

A Novel Pathway of Protein Haptenation by ß-Lactams

R. Pérez-Ruiz, E. Lence, I. Andreu, D. Limones-Herrero,  C. González-Bello, M. A. Miranda* and M. C. Jiménez*

Chemistry, European Journal  2017, 23, 13986-13994 (link)

Activity of the β-Lactamase Inhibitor LN-1-255 against carbapenem-hydrolyzing class D β-lactamases from Acinetobacter baumannii

J. C. Vázquez-Ucha, M. Maneiro, M. Martínez-Guitián, J. Buynak, C. R. Bethel, R.A. Bonomo, G. Bou, C. González-Bello and A. Beceiro.

Antimicrobial Agents and Chemotherapy 2017, 61, e01172-17 (link).

Reducing the Flexibility of Type II Dehydroquinase Enzyme for Inhibition - A Fragment-Based Approach and Molecular Dynamics Simulation Study

A. Peón, A. Robles, B. Blanco, M. Convertino, P. Thompson, A. R. Hawkins, A. Caflisch* and C. González-Bello*

ChemMedChem 2017, 12, 1512-1524

Mapping a Protein Recognition Centre with Chiral Photoactive Ligands. An Integrated Approach Combining Photophysics, Reactivity, Proteomics and Molecular Dynamics Simulation Studies

D. Limones-Herrero, R. Pérez-Ruiz, E. Lence, C. González-Bello, M. A. Miranda* and M. C. Jiménez*

Chemical Science 2017, 8, 2621-2628

Freezing the Dynamic Gap for Selectivity - Motion-based Design of Inhibitors of the Shikimate Kinase Enzyme

V. Prado, E. Lence, P. Thompson, A. R. Hawkins and C. González-Bello*

Chem. Eur. J. 2016, 22, 17988-18000 (Highlighted as Frontispiece)

Targeting the Motion of Shikimate Kinase: Development of Competitive Inhibitors that Stabilize an Inactive Open Conformation of the Enzyme

V. Prado, E. Lence, M. Maneiro, J. C. Vázquez-Ucha, A. Beceiro, P. Thompson, A. R. Hawkins and C. González-Bello*

Journal of Medicinal Chemistry 2016, 59, 5471-5487 (COVER).

LN-1-255, a Penicillanic Acid Sulfone Able to Inhibit the Class D Carbapenemase OXA-48

J. A. Vallejo, M. Martínez-Guitián, J. C. Vázquez-Ucha, C. González-Bello, M. Poza, J. D. Buynak, C. R. Bethel, R. A. Bonomo, G. Bou and A. Beceiro*.

Journal of Antimicrobial Chemotherapy 2016, 7, 2171-2180

Study of the Phosphoryl-Transfer Mechanism of Shikimate Kinase by NMR Spectroscopy

V. Prado, E. Lence, J. A. Vallejo, A. Beceiro, P. Thompson, A. R. Hawkins and C. González-Bello*

Chem. Eur. J. 2016, 22, 2758-2768

Inhibition of Shikimate Kinase and Type II Dehydroquinase for Antibiotic Discovery: Structure-Based Design and Simulation Studies

C. González-Bello*

Current Topics in Medicinal Chemistry 2016, 16, 960-977.

Designing Irreversible Inhibitors - Worth the Effort?

C. González-Bello*

ChemMedChem 2016, 11, 22-30

Specific Chemical Modification of Bacterial Type I Dehydroquinase – Opportunities for Drug Discovery

C. González-Bello*

Future Medicinal Chemistry 2015, 7, 2371-2383

Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct

C. González-Bello,* L.Tizón, E. Lence, J. M. Otero, M. J. van Raaij, M. Martinez-Guitian, A. Beceiro, P.  Thompson, and A. R. Hawkins

J. Am. Chem. Soc. 2015, 137, 9333-9343

Using Surface Enhanced Raman Scattering to Analyze the Interactions of Protein Receptors with Bacterial Quorum Sensing Modulators

C. Costas, V. Lopez-Puente, G. Bodelon*, C. González-Bello, J. Perez-Juste, I. Pastoriza-Santos and L. M. Liz-Marzan*

ACS Nano 2015, 9, 5567-5576

Irreversible Covalent Modification of Type I Dehydroquinase by a Stable Schiff Base

L. Tizón, M. Maneiro,  A. Peón, J. M. Otero, E. Lence, S. Poza, M. J. van Raaij, P. Thompson, A. R. Hawkins and C. González-Bello*

Org. Biomol. Chem. 2015, 13, 706-716 (cover).

Insights into Substrate Binding and Catalysis in Bacterial Type I Dehydroquinase

M. Maneiro,  A. Peón, E. Lence, J. M. Otero, M. J. van Raaij, P. Thompson, A. R. Hawkins and C. González-Bello*

Biochem. J. 2014, 462, 415-424.

Exploring the Water-binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-based Design of Inhibitors

B. Blanco, A. Sedes, A. Peón, J. M. Otero, M. J. van Raaij, P. Thompson, A. R. Hawkins and C. González-Bello*

J. Med. Chem. 2014, 57, 3494-3510.

Mechanistic Insight Into the Reaction Catalysed by Bacterial Type II Dehydroquinases

C. Coderch, E. Lence, A. Peón, H. Lamb, A. R. Hawkins, F. Gago* and C. González-Bello*

Biochem. J. 2014, 458, 547-557 (Spotlights).

Mycobacterium tuberculosis Shikimate Kinase Inhibitors: Design and Simulation Studies of the Catalytic Turnover

B. Blanco, V. Prado, E. Lence, J. M. Otero, C. Garcia-Doval, M. J. van Raaij, A. L. Llamas-Saiz, H. Lamb, A. R. Hawkins and C. González-Bello*

J. Am. Chem. Soc. 2013, 135, 12366-12376.

Mechanistic Basis of the Inhibition of Type II Dehydroquinase by (2S)- and (2R)-2-Benzyl-3-dehydroquinic Acids

E. Lence, L. Tizón, J. M. Otero, A. Peón, V. F. V. Prazeres, A. L. Llamas-Saiz, G. C. Fox, M. J. van Raaij, H. Lamb, A. R. Hawkins and C. González-Bello*

ACS Chem. Biol. 2013, 8, 568-577 (cover).

Comparative Binding Energy (COMBINE) Analysis for Understanding the Binding Determinants of Type II Dehydroquinase Inhibitors

A. Peón, C. Coderch, F. Gago and C. González-Bello*

ChemMedChem 2013, 8, 740-747.

 
Synthesis of 3-Alkyl Enol Mimics Inhibitors of Type II Dehydroquinase: Factors Influencing Their Inhibition Potency

B. Blanco, A. Sedes, A. Peón, H. Lamb, A. R. Hawkins, L. Castedo and C. González-Bello*

Org. Biomol. Chem. 2012, 10, 3662-3676 (cover).

A Prodrug Approach for Improving Anti-tuberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors

 L. Tizón, J. M. Otero, V. F. V. Prazeres, A. L. Llamas-Saiz, M. J. van Raaij, H. Lamb, A. R. Hawkins, J. A. Ainsa, L. Castedo and C. González-Bello*

J. Med. Chem. 2011, 54, 6063-6084 (cover).