 | Dr. Pedro A. Sánchez-Murcia University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria pedro.murcia@univie.ac.at +43 1 4277 52758 RID: I-2473-2015 ORCID: 0000-0001-8415-870X Google Scholar: on0urV4AAAAJ |
| Focus Area |
| My scientific interests are framed within the fields of Biological and Medicinal Chemistry. Specifically, in the use of computational methods to study (and hopefully predict) properties of small and macromolecules in the biological context. I have been recently granted with the Lise Meitner FWF Project M 2260 to study the photophysical and photochemical properties of Ru-diimine complexes within lipid membranes and their effect on ion channels. |
| Awards & Prizes |
|
| Publications |
Fluorescent PyrAte-(S)-Citalopram Conjugates Enable Imaging of the Serotonin Transporter in Living Tissue Chem. Sci. 16, 6003-6013 , (2025), DOI: 10.1039/D4SC06949H 48. D. Ferro-Costas, P. A. Sánchez-Murcia, A. Fernández-Ramos Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation J. Chem. Inf. Model. 64, 3865-3873, (2024), DOI: 10.1021/acs.jcim.3c02049 47. I. Saridakis, M. Riomet, O. Belleza, G. Coussanes, N. Singer, N. Kastner, Y. Xiao, E. Smith, V. Tona, A. de la Torre, E. Lopes, P. A. Sánchez-Murcia, L. González, H. Sitte, N. Maulide PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluorescence Microscopy Angew. Chem. Int. Ed. 63, e202318127, (2024), DOI: 10.1002/anie.202318127 I. Saridakis, M. Riomet, O. Belleza, G. Coussanes, N. Singer, N. Kastner, Y. Xiao, E. Smith, V. Tona, A. de la Torre, E. Lopes, P. A. Sánchez-Murcia, L. González, H. Sitte, N. Maulide Unravelling the Turn-on Fluorescence Mechanism of a Fluorescein-based Probe in GABAA Receptors Angew. Chem. Int. Ed. 61, e202205198, (2022), DOI: 10.1002/anie.202205198 N. Singer, P. A. Sánchez-Murcia, M. Ernst, L. González N. Singer, P. A. Sánchez-Murcia, M. Ernst, L. González Deciphering the Chemical Basis of Fluorescence of a Selenium-Labeled Uracil Probe when Bound at the Bacterial Ribosomal A-Site Chemistry - A European Journal 27, 4927-4931, (2021), DOI: 10.1002/chem.202004818 44. Á. Martínez-Camarena, P. A. Sánchez-Murcia, S. Blasco, L. González, E. V. García-España Unveiling the Reaction Mechanism of Novel Copper N-Alkylated Tetra-Azacyclophanes with Outstanding Superoxide Dismutase Activity Chem. Comm. 56 , 7511-7514, (2020), DOI: 10.1039/D0CC01926G 43. P. A. Sánchez-Murcia, J. J. Nogueira, F. Plasser, L. González Orbital-free Photophysical Descriptors to Predict Directional Excitations in Metal-Based Photosensitizers Chem. Sci. 11, 7685-7693, (2020), DOI: 10.1039/D0SC01684E 42. D. Avagliano, P. A. Sánchez-Murcia, L. González Spiropyran Meets Guanine Quadruplexes: Isomerization Mechanism and DNA Binding Modes of Quinolizidine-Substituted Spiropyran Probes Chem.: Eur. J. 26, 13039-13045, (2020), DOI: 10.1002/chem.202001586 41. A. Gigante, E. Sijbesma, P. A. Sánchez-Murcia, X. Hu, D. Bier, S. Bäcker, S. Knauer, F. Gago, C. Ottmann, C. Schmuck A Supramolecular Stabilizer of the 14-3-3ζ/ERα Protein-Protein Interaction with a Synergistic Mode of Action Angew. Chem. 132, 1-6, (2019), DOI: 10.1002/ange.201914517 40. D. P. Gavin, F. J. Reen, J. Rocha-Martin, I. Abreu-Castilla, D. F. Woods, A. M. Foley, P. A. Sánchez-Murcia, M. Schwarz, P. O'Neill, A. R. Maguire, F. O'Gara Genome mining and characterisation of a novel transaminase with remote stereoselectivity Sci Rep 9, 20285, (2019), DOI: 10.1038/s41598-019-56612-7 39. J. Rocha-Martín, P. A. Sánchez-Murcia, F. López-Gallego, A. Hidalgo, J. Berenguer, J. M. Guisán Functional characterization and structural analysis of NADH oxidase mutants from Thermus thermophilus HB27: Role of residues 166, 174 and 194 in the catalytic properties and thermostability Microorganisms 7, 515, (2019), DOI: 10.3390/microorganisms7110515 38. J. del Arco, A. Perona, L. González, J. Fernández-Lucas, F. Gago, P. A. Sánchez-Murcia Reaction Mechanism of Nucleoside 2'-Deoxyribosyltransferases: Free-Energy Landscape Supports an Oxocarbenium Ion as the Reaction Intermediate Org. Biomol. Chem. 17, 7891-7899, (2019), DOI: 10.1039/C9OB01315F 37. D. Avagliano, P. A. Sánchez-Murcia, L. González Directional and Regioselective Hole Injection of Spiropyran Photoswitches Intercalated in A/T-duplex DNA Phys. Chem. Chem. Phys. 21, 17971-17977, (2019), DOI: 10.1039/C9CP03398J 36. P. A. Sánchez-Murcia, A. Mills, A. Cortés-Cabrera, F. Gago Unraveling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule J. Comput. Aided Mol. Des. 33, 627-644, (2019), DOI: 10.1007/s10822-019-00208-w 35. A. Revuelto, M. Ruiz-Santaquiteria, H. de Lucio, A. Gamo, A. A. Carriles, K. J. Gutiérrez, P. A. Sánchez-Murcia, J. A. Hermoso, F. Gago, M.J. Camarasa, A. Jiménez-Ruiz, S. Velázquez From peptidic to non-peptidic dimerization inhibitors of Leishmania infantum trypanothione reductase: the pyrrolopyrimidine vs the imidazole- phenyl-thiazole scaffold ACS Infect. Dis. 5, 873-891, (2019), DOI: 10.1021/acsinfecdis.8b00355 34. N. Bernardo-García, P. A. Sánchez-Murcia, A. Espaillat, F. Cava, J. A. Hermoso, F. Gago Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase Org. Biomol. Chem. 17, 4350-4358, (2019), DOI: 10.1039/C9OB00223E 33. D. Maity, A. Gigante, P. A. Sánchez-Murcia, E. Sijbesma , M. Li, D. Bier, S. Mosel, S. Knauer, C. Ottmann, C. Schmuck Arginine mimetic appended peptide-based probes for flourescence turn-on detection of 14-3-3 proteins Org. Biomol. Chem. 17, 4359-4363, (2019), DOI: 10.1039/C9OB00620F 32. D. Avagliano, P. A. Sánchez-Murcia, L. González DNA-Binding Mechanism of Spiropyran Photoswitches: the Role of Electrostatics Phys. Chem. Chem. Phys. 21, 8614-8618, (2019), DOI: 10.1039/C8CP07508E Cover Image: Identification of NEK3 and MOK as novel targets for lithium Chem. Biol. Drug. Des. 00, 1-5, (2019), DOI: 10.1111/cbdd.13487 30. E. Pérez, P. A. Sánchez-Murcia, J. Jordaan, M. D. Blanco, J. M. Mancheño, F. Gago, J. Fernándes-Lucas Enzymatic synthesis of therapeutic nucleosides using a highly versatile purine nucleoside 2'-deoxyribosyltransferase from Trypanosoma brucei ChemCatChem 10, 4406-4416, (2018), DOI: 10.1002/cctc.201800775 29. J. Del Arco, P. A. Sánchez-Murcia, J. M. Mancheño, F. Gago, J. Fernández-Lucas Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2'-deoxyribosyltransferase from Chroococcidiopsis thermalis Appl. Microbiol. Biotechnol. 102(16) , 6947-6957, (2018), DOI: 10.1007/s00253-018-9134-y 28. M. Ruiz-Santaquiteria, S. de Castro, M. A.Toro, H. de Lucio, K. Jesús-Gutiérrez, P. A. Sánchez-Murcia, M. Á. Jiménez, F. Gago, A. Jiménez-Ruiz, M. -J. Camarasa, S. Velázquez Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability Eur. J. Med. Chem. 149, 238-247, (2018), DOI: 10.1016/j.ejmech.2018.02.071 27. P. A. Sánchez-Murcia, J. J. Nogueira, L. González Exciton Localization on Ru-Based Photosensitizers Induced by Binding to Lipid Membranes J. Phys. Chem. Lett. 9, 683-688, (2018), DOI: 10.1021/acs.jpclett.7b03357 26. P. Torres-Salas, V. Bernal, F. López-Gallego, J. Martínez-Crespo, P. A. Sánchez-Murcia, V. Barrera, R. Morales-Jiménez, A García-Sánchez, A. Mañas-Fernández, J. M. Seoane, M. Sagrera Polo, J. D. Miranda, J. Calvo, S. Huertas, J. L. Torres, A. Alcalde-Bascones, S. González-Barrera, F. Gago, A. Morreale, M. del Mar González-Barroso Engineering Erg10 thiolase from Saccharomyces cerevisiae as a synthetic toolkit for the production of branched-chain alcohols 8 , 1338-1348, (2018), DOI: 10.1021/acs.biochem.7b01186 25. Y.-T. Ma, Y. Yang, P. Cai, D.-Y. Sun, P. A. Sánchez-Murcia, X.-Y. Zhang, W.-Q. Jia, L. Lei, M. Guo, F. Gago, H. Wang, W.-S. Fang A series of enthalpically optimized docetaxel analogues exhibiting enhanced antitumor activity and water solubility J. Nat. Prod. 81, 524-533, (2018), DOI: 10.1021/acs.jnatprod.7b00857 24. H. de Lucio, A. M. Gamo, M. Ruiz-Santaquiteria, S. de Castro, P. A. Sánchez-Murcia, M. A. Toro, K. J. Gutiérrez, F. Gago, A. Jiménez-Ruiz, M.-J. Camarasa, S. Velázquez Improved proteolytic stability and potent activity against Leishmania infantum trypanothione reductase of α/β-peptide foldamers conjugated to cell-penetrating peptides Eur. J. Med. Chem. 140, 615-623, (2017), DOI: 10.1016/j.ejmech.2017.09.032 23. P. A. Sánchez-Murcia, A. Cortés-Cabrera, F. Gago Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B J. Comput. Aided Mol. Des. 31, 915-928, (2017), DOI: 10.1007/s10822-017-0066-x 22. N. Crespo, P. A. Sánchez-Murcia, F. Gago, J. Cejudo-Sanches, M. A Galmes, J. Fernández-Lucas, J. M. Mancheño 2'-Deoxyribosyltransferase from Leishmania mexicana, an efficient biocatalyst for one- pot, one-step synthesis of nucleosides from poorly soluble purine bases Appl. Microbiol. Biotechnol. 101, 7187-7200, (2017), DOI: 10.1007/s00253-017-8450-y 21. A. Cortés-Cabrera, P. A. Sánchez-Murcia, F. Gago Making sense of the past: hyperstability of ancestral thioredoxins explained by free energy simulations Phys. Chem. Chem. Phys. 19, 23239-23246, (2017), DOI: 10.1039/C7CP03659K 20. M. Ruiz-Santaquiteria, P. A. Sánchez-Murcia, M. A. Toro, H. de Lucio, K. Jesús Gutiérrez, S. de Castro, F. A. C. Carneiro, F. Gago, A. Jiménez-Ruiz, M.-J. Camarasa, S. Velázquez First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity Eur. J. Med. Chem. 135, 49-59, (2017), DOI: 10.1016/j.ejmech.2017.04.020 19. C. Oliva, P. A. Sánchez-Murcia, E. Rico, A. Bravo, M. Menéndez, F. Gago, A. Jiménez-Ruiz Structure-based domain assignment in Leishmania infantum EndoG: characterization of a pH-dependent regulatory switch and a C-terminal extension that largely dictates DNA substrate preferences Nucleic Acids Research 45, 9030-9045, (2017), DOI: 10.1093/nar/gkx629 18. C. Trigili, I. Barasoain, P. A. Sánchez-Murcia, A. Canales, N. M. Gardner, G. J. Naylor, E. Gómez, F. Gago, A. E. Prota, I. Paterson, O. Steinmetz, F. Díaz Structural determinants for the interaction of the dictyostatin chemotype with tubulin and molecular basis for the synergistic effect with paclitaxel ACS Omega 1, 1192-1204, (2016), DOI: 10.1021/acsomega.6b00317 17. J. Gutiérrez-Fernández, M. Saleh, M. Alcorlo, A. Gómez, D. Pantoja-Uceda, M. A. Treviño, F. Voß, S. Galán-Bartual, P. A. Sánchez-Murcia, F. Gago, M. Bruix, S. Hammerschmidt, J. A. Hermoso Modular architecture and unique recognition features in the modular CbpL contributing to pneumococcal pathogenesis Sci. Rep. 6, 38094, (2016), DOI: 10.1038/srep38094 16. P. A. Sánchez-Murcia, J. A. Bueren, M. Camacho-Artacho, A. Cortés-Cabrera, F. Gago Stepwise simulation of 4-methylidene-imidazole-5-one (MIO) biogenesis in histidine ammonia lyase 41 , 5854-5864, (2016), DOI: 10.1021/acs.biochem.6b00744 15. A. Losada, M. J. Muñoz-Alonso, C. García, P. A. Sánchez-Murcia, J. F. Martínez-Leal, J. M. Domínguez, M. P. Lillo, F. Gago, C. M. Galmarini Translation elongation factor eEF1A2 is a novel anticancer target for the marine natural product plitidepsin Sci. Rep. 6, 35100, (2016), DOI: 10.1038/srep35100 14. C. Genes, H. de Lucio, P. A. Sánchez-Murcia, F. Gago, N. Fasel, A. Jiménez- Ruiz Pro-death activity of a BH3 domain in an aquaporin from the protozoan parasite Leishmania Cell Death Disease 7, e2318, (2016), DOI: 10.1038/cddis.2016.229 13. C. Genes, H. de Lucio, V. M. González, P. A. Sánchez-Murcia, F. Gago, N. Fasel, A. Jiménez-Ruiz A functional BH3 domain in an aquaporin from Leishmania infantum Cell Death Discovery 2, 16043, (2016), DOI: 10.1038/cddiscovery.2016.43 12. F. Filace, P. A. Sánchez-Murcia, D. Sucunza, A. Pérez-Redondo, J. Álvarez-Builla,J.; F. Gago, C. Burgos Silyl assistance in the intramolecular addition of pyridyl radicals onto pyridines and quinolines Eur. J. Org. Chem. 10, 1891-1896, (2016), DOI: 10.1002/ejoc.201600170 11. B. Díez-Dacal, F. J. Sánchez-Gómez, P. A. Sánchez-Murcia, I. Milackova, T. Zimmerman, J. Ballekova, E. García-Martín, J. A. G. Agúndez, S. Gharbi, F. Gago, M. Stefek, D. Pérez-Sala Molecular interactions and implications of aldose reductase inhibition by PGA1 and clinically used prostaglandins Mol. Pharmacol. 89, 42-52, (2016), DOI: 10.1124/mol.115.100693 10. S. Wang, P. A. Sánchez-Murcia, F. Gago, W. Fang A novel C,D-spirodioxene taxoid synthesized through an unexpected Pd-mediated ring cyclization Org. Biomol. Chem. 14, 345-352, (2016), DOI: 10.1039/c5ob02131f 9. S. Wang, C. G. Yang, P. A. Sánchez-Murcia, J. P. Snyder, N. Yan, G. Sáez-Calvo, F. Díaz, F. Gago, W. Fang Restoration of microtubule interaction and cytotoxicity in d-seco taxanes upon incorporation of 20-hydroxymethyl-4-allyloxy groups Org. Lett. 17, 6098-6101, (2015), DOI: 10.1021/acs.orglett.5b03119 8. S. de Castro, C. Fernández-Cureses, G. Andrei, P. A. Sánchez-Murcia, B. Korba, F. Gago, J. Balzarini, M. J. Camarasa Synthesis and antiviral activity of 2,4-diamino- 1,3,5-triazine-6-O-acyclic nucleoside phosphonates Eur. J. Med. Chem. 122, 64-68, (2015), DOI: 10.1016/j.antiviral.2015.08.006 7. N. Bernardo-García, P. A. Sánchez-Murcia, F. Gago, F. Cava, J. A. Hermoso Structural bioinformatics in broad-spectrum racemases: a new path in antimicrobial research Curr. Org. Chem. 20, 1222 - 1231], (2015), DOI: 10.2174/1385272819666150810213115 6. P. A. Sánchez-Murcia, M. Ruiz-Santaquiteria, M. Toro, H. de Lucio, M. A. Jiménez, F. Gago, A. Jiménez-Ruiz, M. J. Camarasa, S. Velázquez Comparison of hydrocarbon- and lactam-bridged cyclic peptides as dimerization inhibitors of Leishmania infantum trypanothione reductase RSC Adv. 5, 55784-55794, (2015), DOI: 10.1039/C5RA06853C 5. O. Gherbovet, P. A. Sánchez-Murcia, M. C. García Alvarez, J. Bignon, S. Thoret, F. Gago, F. Roussi Synthesis and evaluation of hybrid molecules targeting the vinca domain of tubulin Org. Biomol. Chem. 13, 3144-3154, (2015), DOI: 10.1039/C4OB02114B 4. A. Canales, L. Nieto, J. Rodríguez-Salarichs, P. A. Sánchez-Murcia, C. Coderch, A. Cortés-Cabrera, I. Paterson, T. Carlomagno, F. Gago, K.-H. Altmann, J. Andreu, J. Jimenez-Barbero, J. Díaz Molecular recognition of epothilones by microtubules and tubulin dimers revealed by biochemical and NMR approaches ACS Chem. Biol. 9, 1033-1043, (2014), DOI: 10.1021/cb400673h 3. M. A. Toro, P. A. Sánchez-Murcia, D. Moreno, M. Ruiz-Santaquiteria, J. F. Alzate, A. Negri, M. J. Camarasa, F. Gago, S. Velázquez, A. Jiménez-Ruiz Probing the dimerization interface of Leishmania infantum trypanothione reductase with site- directed mutagenesis and short peptides ChemBioChem 14, 1212-1217, (2013), DOI: 10.1002/cbic.201200744 2. C. Cruz, P. A. Sánchez-Murcia, K. A. Jørgensen Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones Chem. Commun. 48, 6112-6114, (2012), DOI: 10.1039/C2CC32385K 1. O. Ernst, P. A. Sánchez-Murcia, P. Daldrop, S. P. Tsunoda, S. Kateriya, P. Hegemann Photoactivation of channelrhodopsin J. Biol. Chem. 283, 1637-1643, (2008), DOI: 10.1074/jbc.M708039200 |