Department of Organic and Pharmaceutical Chemistry

2024

Applying Molecular Modeling to the Design of Innovative, Non-Symmetrical CXCR4 Inhibitors with Potent Anticancer Activity

Martínez-Asensio, M., Sàrrias, L., Gorjón-de-Pablo, G., Fernández-Serrano, M., Camaló-Vila, J., Gibert, A., Puig de la Bellacasa, R., Teixidó, J., Roué, G., Borrell, J. I. & Estrada-Tejedor, R., Sept 2024, In: International Journal of Molecular Sciences. 25, 17, 14 p., 9446.

Research output: Indexed journal article › Article › peer-review

Open Access

Autocatalytic photoinduced oxidative dehydrogenation of pyrido[2,3-d]pyrimidin-7(8H)-ones: synthesis of C5-C6 unsaturated systems with concomitant formation of a long-lived radical

de Rocafiguera, C., Lloveras, V., Vidal-Gancedo, J., Teixidó, J., Estrada-Tejedor, R., Borrell, J. I. & Puig de la Bellacasa, R., 7 Jan 2024, In: Organic Chemistry Frontiers. 11, 1, p. 27-36 11 p.

Research output: Indexed journal article › Article › peer-review

Open Access

1 Citation (Scopus)

Designing Polyelectrolyte Microneedles Based on Borylated Poly(β-aminoester) Polymers To Enhance Transdermal pH-Controlled Delivery of Nucleic Acids

González-Sáenz, P., Texidó, R., Dols-Pérez, A., Cuenca, A. B., Borrós, S., Fornaguera, C. & Cosialls Menárguez, R., Aug 2024, In: ACS Applied Polymer Materials. 6, 15, p. 8842-8855 14 p.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

Exploring the unexplored chemical space: Rational identification of new Tafenoquine analogs with antimalarial properties

Manen-Freixa, L., Moliner-Cubel, S., Gamo, F. J., Crespo, B., Borrell, J. I., Teixidó, J. & Estrada-Tejedor, R., Jul 2024, In: Bioorganic Chemistry. 148, 11 p., 107472.

Research output: Indexed journal article › Article › peer-review

1 Citation (Scopus)

From propenolysis to enyne metathesis: tools for expedited assembly of 4a,8a-azaboranaphthalene and extended polycycles with embedded BN

Rulli, F., Sanz-Liarte, G., Roca, P., Martínez, N., Medina, V., Puig de la Bellacasa, R., Shafir, A. & Cuenca, A. B., Apr 2024, In: Chemical Science. 15, 15, p. 5674-5680 7 p.

Research output: Indexed journal article › Article › peer-review

Open Access

1 Citation (Scopus)

STAT6 mutations enriched at diffuse large B-cell lymphoma relapse reshape the tumor microenvironment

Benoit, A., Abraham, M. J., Li, S., Kim, J., Estrada-Tejedor, R., Bakadlag, R., Subramaniam, N., Makhani, K., Guilbert, C., Tu, R., Salaciak, M., Klein, K. O., Coyle, K. M., Hilton, L. K., Santiago, R., Dmitrienko, S., Assouline, S., Morin, R. D., del Rincon, S. V. & Johnson, N. A. & 1 others, Mann, K. K., Mar 2024, In: International Journal of Hematology. 119, 3, p. 275-290 16 p.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

Structure-activity relationships of serotonergic 5-MeO-DMT derivatives: insights into psychoactive and thermoregulatory properties

Puigseslloses, P., Nadal-Gratacós, N., Ketsela, G., Weiss, N., Berzosa, X., Estrada-Tejedor, R., Islam, M. N., Holy, M., Niello, M., Pubill, D., Camarasa, J., Escubedo, E., Sitte, H. H. & López-Arnau, R., Aug 2024, In: Molecular Psychiatry. 29, 8, p. 2346-2358 13 p.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

The Use of a Penta-Deuterophenyl Substituent to Improve the Metabolic Stability of a Tyrosine Kinase Inhibitor

Dulsat, J., Puig de la Bellacasa, R. & Borrell, J. I., Dec 2024, In: Molecules. 29, 24, 13 p., 6042.

Research output: Indexed journal article › Article › peer-review

Open Access

Total Synthesis of (+)-Discorhabdin V**

Derstine, B. C., Cook, A. J., Collings, J. D., Gair, J., Saurí, J., Kwan, E. E. & Burns, N. Z., 2 Jan 2024, In: Angewandte Chemie - International Edition. 63, 1, 5 p., e202315284.

Research output: Indexed journal article › Article › peer-review

6 Citations (Scopus)

Unravelling the Antifibrinolytic Mechanism of Action of the 1,2,3-Triazole Derivatives

Rabadà Soler , Y., Bosch-Sanz, O., Biarnés, X., Pedreño, J., Caveda, L., Sánchez-García, D., Martorell, J. & Balcells, M., Jul 2024, In: International Journal of Molecular Sciences. 25, 13, 18 p., 7002.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

When Unsuspected Crystallinity Ruins Biological Testing in Early Discovery: A Case Study

de Rocafiguera, C., Belsa, B., Font-Bardia, M., Puigjaner, C., Serra, E., Cuartero-Albesa, A. M., Puig de la Bellacasa, R. & Borrell, J. I., Mar 2024, In: Pharmaceuticals. 17, 3, 13 p., 284.

Research output: Indexed journal article › Article › peer-review

Open Access

2023

Ammonium trifluoroborate-modified poly(β-aminoesters): A case study for PET-guided in vivo pharmacokinetic studies of a non-viral gene delivery system

Fernández, O., Simó, C., Pulagam, K. R., Guerra-Rebollo, M., Llop, J., Fornaguera, C., Cuenca, A. B., Borrós, S. & Cosialls Menárguez, R., Jun 2023, In: Journal of Controlled Release. 358, p. 739-751 13 p.

Research output: Indexed journal article › Article › peer-review

3 Citations (Scopus)

Creation of Chemical Tri-Layered Collagen Crosslinked Membranes and Their Comparison with Ionically Tri-Layered Chitosan Crosslinked Membranes to Study Human Skin Properties

Balfagón Costa, A., Artalejo Ortega, B., Guerle Cavero, R. & Galan Navea, L., Sept 2023, In: International Journal of Molecular Sciences. 24, 17, 23 p., 13443.

Research output: Indexed journal article › Article › peer-review

Open Access

Cyclic Homo- and Heterohalogen Di-λ³-diarylhalonium Structures

Chen, W. W., Artigues, M., Font-Bardia, M., Cuenca, A. B. & Shafir, A., 13 Jun 2023, In: Journal of the American Chemical Society. 145, 25, p. 13796-13804 9 p.

Research output: Indexed journal article › Article › peer-review

Open Access

7 Citations (Scopus)

De-Novo Design of pre-miR-21 Maturation Inhibitors: Synthesis and Activity Assessment

Shcheholeva, I., Fernández-Remacha, D., Estrada-Tejedor, R., Duca, M. & Michelet, V., 14 Jul 2023, In: Chemistry - A European Journal. 29, 40, 12 p., e202300825.

Research output: Indexed journal article › Article › peer-review

Open Access

3 Citations (Scopus)

Miniaturization of popular reactions from the medicinal chemists' toolbox for ultrahigh-throughput experimentation

Gesmundo, N., Dykstra, K., Douthwaite, J. L., Kao, Y.-T., Zhao, R., Mahjour, B., Ferguson, R., Dreher, S., Sauvagnat, B., Sauri, J. & Cernak, T., Nov 2023, In: Nature Synthesis. 2, 11, p. 1082-1091 10 p.

Research output: Indexed journal article › Article › peer-review

17 Citations (Scopus)

PET Imaging of Self-Assembled ¹⁸F-Labelled Pd₂L₄ Metallacages for Anticancer Drug Delivery

Cosialls Menárguez, R., Simó, C., Borrós, S., Gómez-Vallejo, V., Schmidt, C., Llop, J., Cuenca, A. B. & Casini, A., 12 Jan 2023, In: Chemistry - A European Journal. 29, 3, 8 p., e202202604.

Research output: Indexed journal article › Article › peer-review

Open Access

17 Citations (Scopus)

Porphycene conjugates for biomedical applications

Sánchez-García, D., 1 Oct 2023, In: Journal of Porphyrins and Phthalocyanines. 27, 07N10, p. 1009-1014 6 p.

Research output: Indexed journal article › Article › peer-review

2 Citations (Scopus)

Structure-Activity Relationship of N-Ethyl-Hexedrone Analogues: Role of the α-Carbon Side-Chain Length in the Mechanism of Action, Cytotoxicity, and Behavioral Effects in Mice

Nadal-Gratacós, N., Ríos-Rodríguez, E., Pubill, D., Batllori, X., Camarasa, J., Escubedo, E., Berzosa, X. & López-Arnau, R., 15 Feb 2023, In: ACS Chemical Neuroscience. 14, 4, p. 787-799 13 p.

Research output: Indexed journal article › Article › peer-review

Open Access

6 Citations (Scopus)

Synthesis of Chalcones: An Improved High-Yield and Substituent-Independent Protocol for an Old Structure

Donaire-Arias, A., Poulsen, M. L., Ramón-Costa, J., Montagut, A. M., Estrada-Tejedor, R. & Borrell, J. I., Nov 2023, In: Molecules. 28, 22, 11 p., 7576.

Research output: Indexed journal article › Article › peer-review

Open Access

1 Citation (Scopus)

2022

1,2,3-Triazole Derivatives as Novel Antifibrinolytic Drugs

Bosch-Sanz, O., Biarnés, X., Pedreño, J., Caveda, L., Balcells, M., Martorell, J., Rabadà Soler , Y. & Sánchez-García, D., Dec 2022, In: International Journal of Molecular Sciences. 23, 23, 14942.

Research output: Indexed journal article › Article › peer-review

Open Access

4 Citations (Scopus)

Analysis of laccase-like enzymes secreted by fungi isolated from a cave in northern Spain

Fernández-Remacha, D., González-Riancho, C., Lastra Osua, M., González Arce, A., Montánchez, I., García-Lobo, J. M., Estrada-Tejedor, R. & Kaberdin, V. R., Apr 2022, In: MicrobiologyOpen. 11, 2, 16 p., e1279.

Research output: Indexed journal article › Article › peer-review

Open Access

8 Citations (Scopus)

Cognate RNA-Binding Modes by the Alternative-Splicing Regulator MBNL1 Inferred from Molecular Dynamics

González, À. L., Fernández-Remacha, D., Borrell, J. I., Teixidó, J. & Estrada-Tejedor, R., Dec 2022, In: International Journal of Molecular Sciences. 23, 24, 15 p., 16147.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

Deconstructing Markush: improving the R&D efficiency using library selection in early drug discovery

Manen-Freixa, L., Borrell, J. I., Teixidó, J. & Estrada-Tejedor, R., Sept 2022, In: Pharmaceuticals. 15, 9, 14 p., 1159.

Research output: Indexed journal article › Article › peer-review

Open Access

2 Citations (Scopus)

Mutated RAS-associating proteins and ERK activation in relapse/refractory diffuse large B cell lymphoma

Benoit, A., Bou-Petit, E., Chou, H., Lu, M., Guilbert, C., Luo, V. M., Assouline, S., Morin, R. D., Dmitrienko, S., Estrada-Tejedor, R., Johnson, N. A. & Mann, K. K., Dec 2022, In: Scientific Reports. 12, 1, 13 p., 779.

Research output: Indexed journal article › Article › peer-review

Open Access

5 Citations (Scopus)

Neuropsychopharmacology of emerging drugs of abuse: meta- and para-halogen-ring-substituted α-PVP ("flakka") derivatives

Nadal-Gratacos, N., Lleixà, E., Gibert-Serramià, M., Estrada-Tejedor, R., Berzosa, X., Batllori, X., Pubill, D., Camarasa, J., Escubedo, E. & López-Arnau, R., 17 Feb 2022, In: International Journal of Molecular Sciences. 23, 4, 18 p., 2226.

Research output: Indexed journal article › Article › peer-review

Open Access

14 Citations (Scopus)

Optimitzar l'obtenció d'hupertacrina-tacrina per tractar la malaltia d'Alzheimer

Comallonga Albareda, C., Borrell Bilbao, J. I. & Puig De La Bellacasa Cazorla, R., 1 Jan 2022, In: Circular farmacèutica. 80, Especial Beques i Premis, p. 27-29 3 p.

Research output: Indexed journal article › Article

Overcoming Paradoxical Kinase Priming by a Novel MNK1 Inhibitor

Bou-Petit, E., Hümmer, S., Alarcon, H., Slobodnyuk, K., Cano-Galietero, M., Fuentes, P., Guijarro, P. J., Muñoz, M. J., Suarez-Cabrera, L., Santamaria, A., Estrada-Tejedor, R., Borrell, J. I. & Ramón Y Cajal, S., 28 Apr 2022, In: Journal of Medicinal Chemistry. 65, 8, p. 6070-6087 18 p.

Research output: Indexed journal article › Article › peer-review

Open Access

12 Citations (Web of Science)

2021

Defined d-hexapeptides bind CUG repeats and rescue phenotypes of myotonic dystrophy myotubes in a Drosophila model of the disease

Rapisarda, A., Bargiela, A., Llamusi, B., Pont, I., Estrada-Tejedor, R., Garcia-España, E., Artero, R. & Perez-Alonso, M., Dec 2021, In: Scientific Reports. 11, 1, 15 p., 19417.

Research output: Indexed journal article › Article › peer-review

Open Access

Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1

Ondono, R., Lirio, Á., Elvira, C., Álvarez-Marimon, E., Provenzano, C., Cardinali, B., Pérez-Alonso, M., Perálvarez-Marín, A., Borrell, J. I., Falcone, G. & Estrada-Tejedor, R., Jan 2021, In: Computational and Structural Biotechnology Journal. 19, p. 51-61 11 p.

Research output: Indexed journal article › Article › peer-review

Open Access

7 Citations (Scopus)

Electrostatic coating of viral particles for gene delivery applications in muscular dystrophies: influence of size on stability and antibody protection

Guerra-Rebollo, M., Stampa, M., Lázaro, M. Á., Cascante, A., Fornaguera, C. & Borrós, S., 14 Sept 2021, In: Journal of neuromuscular diseases. 8, 5, p. 815-825 11 p.

Research output: Indexed journal article › Article › peer-review

1 Citation (Scopus)

Expanding the diversity at the C-4 position of pyrido[2,3-d]pyrimidin-7(8H)-ones to achieve biological activity against ZAP-70

Masip, V., Lirio, Á., Sánchez-López, A., Cuenca, A. B., Puig de la Bellacasa, R., Abrisqueta, P., Teixidó, J., Borrell, J. I., Gibert, A. & Estrada-Tejedor, R., 15 Dec 2021, In: Pharmaceuticals. 14, 12, 1311.

Research output: Indexed journal article › Article › peer-review

Open Access

1 Citation (Scopus)

Exploring benzylic gem-C(sp3)-boron-silicon and boron-tin centers as a synthetic platform

Chen, W. W., Fernández, N. P., Díaz Baranda, M., Cunillera, A., Rodríguez, L. G., Shafir, A. & Cuenca, A. B., 21 Aug 2021, In: Chemical Science. 12, 31, p. 10514-10521 8 p.

Research output: Indexed journal article › Article › peer-review

Open Access

10 Citations (Scopus)

Nanoparticles for Triple Drug Release for Combined Chemo- and Photodynamic Therapy

Martínez-Edo, G., Xue, E. Y., Ha, S. Y. Y., Pontón, I., González-Delgado, J. A., Borrós, S., Torres, T., Ng, D. K. P. & Sánchez-García, D., 21 Oct 2021, In: Chemistry - A European Journal. 27, 59, p. 14610-14618 9 p.

Research output: Indexed journal article › Article › peer-review

6 Citations (Scopus)

Negative regulation of plastidial isoprenoid pathway by herbivore-induced beta-cyclocitral in Arabidopsis thaliana

Mitra, S., Estrada-Tejedor, R., Volke, D. C., Phillips, M. A., Gershenzon, J. & Wright, L. P., 9 Mar 2021, In: Proceedings of the National Academy of Sciences of the United States of America. 118, 10, 12 p., e2008747118.

Research output: Indexed journal article › Article › peer-review

42 Citations (Scopus)

Preparation of porphyrin and phthalocyanine conjugates for biomedical applications

Pontón, I. & Sánchez-García, D., 1 Oct 2021, In: Journal of Porphyrins and Phthalocyanines. 25, 10-12, p. 917-929 13 p.

Research output: Indexed journal article › Article › peer-review

4 Citations (Scopus)

Reactions of diboron reagents with unsaturated compounds

Fernández, E. & Cuenca, A. B., 2021, In: Organic Reactions. 105, p. 267-426 160 p.

Research output: Indexed journal article › Article › peer-review

6 Citations (Scopus)

Revising Protein Corona Characterization and Combining ITC and Nano-DSC to Understand the Interaction of Proteins With Porous Nanoparticles

Balmori, A., Sandu, R., Gheorghe, D., Botea-Petcu, A., Precupas, A., Tanasescu, S., Sánchez-García, D. & Borrós, S., 11 Oct 2021, In: Frontiers in Bioengineering and Biotechnology. 9, 9 p., 650281.

Research output: Indexed journal article › Article › peer-review

Open Access

10 Citations (Web of Science)

Role of amino terminal substitutions in the pharmacological, rewarding and psychostimulant profiles of novel synthetic cathinones

Duart-Castells, L., Nadal-Gratacós, N., Muralter, M., Puster, B., Berzosa, X., Estrada-Tejedor, R., Niello, M., Bhat, S., Pubill, D., Camarasa, J., Sitte, H. H., Escubedo, E. & López-Arnau, R., 15 Mar 2021, In: Neuropharmacology. 186, 12 p., 108475.

Research output: Indexed journal article › Article › peer-review

Open Access

27 Citations (Scopus)

Structure–Activity Relationship of Novel Second-Generation Synthetic Cathinones: Mechanism of Action, Locomotion, Reward, and Immediate-Early Genes

Nadal-Gratacós, N., Alberto-Silva, A. S., Rodríguez-Soler, M., Urquizu, E., Espinosa-Velasco, M., Jäntsch, K., Holy, M., Batllori, X., Berzosa, X., Pubill, D., Camarasa, J., Sitte, H. H., Escubedo, E. & López-Arnau, R., 26 Oct 2021, In: Frontiers in Pharmacology. 12, 14 p., 749429.

Research output: Indexed journal article › Article › peer-review

Open Access

26 Citations (Scopus)

The Versatile Reaction Chemistry of an Alpha-Boryl Diazo Compound

Liu, Y., Puig De La Bellacasa, R., Li, B., Cuenca, A. B. & Liu, S. Y., 8 Sept 2021, In: Journal of the American Chemical Society. 143, 35, p. 14059-14064 6 p.

Research output: Indexed journal article › Article › peer-review

13 Citations (Scopus)

2020

A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-d]pyrimidin-7(8H)-ones

Galve, I., Ondoño, R., de Rocafiguera, C., Puig de la Bellacasa, R., Batllori, X., Puigjaner, C., Font-Bardia, M., Vallcorba, O., Teixidó, J. & Borrell, J. I., 28 Dec 2020, In: Organic and Biomolecular Chemistry. 18, 48, p. 9810-9815 6 p.

Research output: Indexed journal article › Article › peer-review

4 Citations (Scopus)

C4-C5 fused pyrazol-3-amines: When the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions

Bou-Petit, E., Plans, A., Rodríguez-Picazo, N., Torres-Coll, A., Puigjaner, C., Font-Bardia, M., Teixidó, J., Ramon Y Cajal, S., Estrada-Tejedor, R. & Borrell, J. I., 21 Jul 2020, In: Organic and Biomolecular Chemistry. 18, 27, p. 5145-5156 12 p.

Research output: Indexed journal article › Article › peer-review

5 Citations (Scopus)

Functionalized mesoporous silica nanoparticles with 2,7,12,17-tetraphenylporphycene

Martínez-Edo, G., Llinàs, M. C., Anguera, G., Gibert, A. & Sánchez-García, D., 1 Jan 2020, In: Journal of Porphyrins and Phthalocyanines. 24, 1-3, p. 350-354 5 p.

Research output: Indexed journal article › Article › peer-review

4 Citations (Scopus)

Glycyrrhetinic acid-functionalized mesoporous silica nanoparticles for the co-delivery of dox/cpt-peg for targeting hepg2 cells

Martínez-Edo, G., Fornaguera, C., Borrós, S. & Sánchez-García, D., Nov 2020, In: Pharmaceutics. 12, 11, p. 1-17 17 p., 1048.

Research output: Indexed journal article › Article › peer-review

Open Access

20 Citations (Scopus)

Iodane-Guided ortho C−H Allylation

Chen, W. W., Cunillera, A., Chen, D., Lethu, S., López de Moragas, A., Zhu, J., Solà, M., Cuenca, A. B. & Shafir, A., 2 Nov 2020, In: Angewandte Chemie - International Edition. 59, 45, p. 20201-20207 7 p.

Research output: Indexed journal article › Article › peer-review

10 Citations (Scopus)

Matar o repel·lir? Superfícies antimicrobianes basades en plata

García-Bonillo, C., Texidó Bartes, R., Gilabert Porres, J. & Borrós Gómez, S., 15 Dec 2020, Revista de la Societat Catalana de Química, 19, p. 46-55 10 p.

Research output: Not indexed journal article › Article

Open Access

2019