Compuestos Bioorgánicos y Líquidos Iónicos (BIOILS)
Principales líneas de investigación
- Síntesis de nuevos análogos y metabolitos de la Vitamina D
- Desarrollo de nuevas metodologías sintéticas de Productos naturales.
- Desarrollo de métodos sintéticos de bajo impacto ambiental.
- Diseño y síntesis de nuevos líquidos iónicos como disolventes/catalizadores en síntesis orgánica y otras aplicaciones.
- Desarrollo de metodologías in silico para el establecimiento de relaciones estructura-actividad y estructura-propiedad, el diseño de moléculas bioactivas y la identificación de toxicóforos.
- Desarrollo de nuevos fármacos de estructura heterocíclica.
Investigadores Responsables
Investigadores Senior
Investigadores Postdoctorales
Investigadores Predoctorales
Artículos Científicos
Alvarez-Rodriguez S, Araniti F, Teijeira M, Reigosa MJ, Sanchez-Moreiras AM.Azelaic acid can efficiently compete for the auxin binding site TIR1, alteringauxin polar transport, gravitropic response, and root growth and architecture inArabidopsisthaliana roots. Plant Physiol Biochem. 2024 May;210:108592. doi:10.1016/j.plaphy.2024.108592. Epub 2024 Apr 1. PubMed PMID: 38569422.
Costas-Lago MC, Besada P, Mosquera R, Cano E, Teran C. Stilbene-pyridazinonehybrids: design, synthesis and in vitro antiplatelet activity screening. BioorgChem. 2024 Sep;150:107615. doi: 10.1016/j.bioorg.2024.107615. Epub 2024 Jul 5.PubMed PMID: 38986420.
Gomez-Bouzo U, Peluso-Iltis C, Santalla H, Quevedo MA, Verlinden L, VerstuyfA, Fall Y, Gomez G, Rochel N. Design, Synthesis, and Biological Evaluation of NewType of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J MedChem. 2024 Jun 27;67(12):10386-10400. doi: 10.1021/acs.jmedchem.4c00854. Epub2024 Jun 10. PubMed PMID: 38858308.
Lopez-Gonzalez D, Munoz Usero M, Hermida-Ramon JM, Alvarez-Rodriguez S,Araniti F, Teijeira M, Verdeguer M, Sanchez-Moreiras AM. Pelargonic acid’sinteraction with the auxin transporter PIN1: A potential mechanism behind itsphytotoxic effects on plant metabolism. Plant Sci. 2024 Dec;349:112278. doi:10.1016/j.plantsci.2024.112278. Epub 2024 Oct 10. PubMed PMID: 39395675.
Tojo E, Caceres A, Somoza A, Pena CA, Soto A.Tris(2-hydroxyethyl)ammonium-Based Protic “Ionic Liquids”: Synthesis andCharacterization. J Chem Eng Data. 2024 Apr 24;69(10):3427-3434. doi:10.1021/acs.jced.4c00024. eCollection 2024 Oct 10. PubMed PMID: 39417157; PubMedCentral PMCID: PMC11480899.
Artículos Científicos
Gomez-Bouzo U, Belorusova AY, Rivadulla ML, Santalla H, Verlinden L, VerstuyfA, Ferronato MJ, Curino AC, Facchinetti MM, Fall Y, Gomez G, Rochel N. Structuralanalysis and biological activities of C25-amino and C25-nitro vitamin D analogs.Bioorg Chem. 2023 Jul;136:106528. doi: 10.1016/j.bioorg.2023.106528. Epub 2023Apr 6. PubMed PMID: 37054528.
Lopez-Gonzalez D, Ferradas Y, Araniti F, Grana E, Hermida-Ramon JM, GonzalezMV, Teijeira M, Rey M, Reigosa MJ, Sanchez-Moreiras AM.Trans-cinnamaldehyde-related overproduction of benzoic acid andoxidative stress on Arabidopsis thaliana. Front Plant Sci. 2023 Apr21;14:1157309. doi: 10.3389/fpls.2023.1157309. eCollection 2023. PubMed PMID:37152151; PubMed Central PMCID: PMC10160683.
Lopez-Gonzalez D, Grana E, Teijeira M, Verdeguer M, Reigosa MJ,Sanchez-Moreiras AM, Araniti F. Similarities on the mode of action of theterpenoids citral and farnesene in Arabidopsis seedlings involve interactionswith DNA binding proteins. Plant Physiol Biochem. 2023 Mar;196:507-519. doi:10.1016/j.plaphy.2023.02.004. Epub 2023 Feb 4. PubMed PMID: 36764266.
Artículos Científicos
Aguero-Chapin G, Galpert-Canizares D, Dominguez-Perez D, Marrero-Ponce Y,Perez-Machado G, Teijeira M, Antunes A. Emerging Computational Approaches forAntimicrobial Peptide Discovery. Antibiotics (Basel). 2022 Jul 13;11(7):936. doi:10.3390/antibiotics11070936. PubMed PMID: 35884190; PubMed Central PMCID:PMC9311958.
Costas-Lago MC, Vila N, Rahman A, Besada P, Rozas I, Brea J, Loza MI,Gonzalez-Romero E, Teran C. Novel Pyridazin-3(2H)-one-Based GuanidineDerivatives as Potential DNA Minor Groove Binders with Anticancer Activity. ACSMed Chem Lett. 2022 Feb 10;13(3):463-469. doi: 10.1021/acsmedchemlett.1c00633.eCollection 2022 Mar 10. PubMed PMID: 35300077; PubMed Central PMCID: PMC8919506.
Gómez Bouzó U, Sánchez-Sanz I, González M, Gómez G, Fall Y. First total synthesis of 7-thia-(-)-muricatacin. Results in Chemistry. 2022;4:100431. https://doi.org/10.1016/j.rechem.2022.100431
Santalla H, Nieto Faza O, Gomez G, Fall Y, Lopez CS. On the mechanism of thedyotropic expansion of hydrindanes into decalins. Org Biomol Chem. 2022 Feb2;20(5):1073-1079. doi: 10.1039/d1ob02150h. PubMed PMID: 35029264.
Vila N, Besada P, Brea J, Loza MI, Teran C. Novel Phthalazin-1(2H)-OneDerivatives Displaying a Dithiocarbamate Moiety as Potential Anticancer Agents.Molecules. 2022 Nov 22;27(23):8115. doi: 10.3390/molecules27238115. PubMed PMID:36500208; PubMed Central PMCID: PMC9738785.
Artículos Científicos
Besada P, Gallardo-Gómez M, Pérez-Márquez T, Patiño-Álvarez L, Pantano S, Silva-López C, Terán C, Arévalo-Gómez A, Ruz-Zafra A, Fernández-Martín J, Ortolano S. The New Pharmacological Chaperones PBXs Increase alpha-Galactosidase A Activity in Fabry Disease Cellular Models. Biomolecules. 2021;11(12) PMID: 34944500. DOI: 10.3390/biom11121856. http://www.ncbi.nlm.nih.gov/pubmed/34944500
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Besada P, Viña D, Costas T, Costas-Lago MC, Vila N, Torres-Terán I, Sturlese M, Moro S, Terán C. Pyridazinones containing dithiocarbamoyl moieties as a new class of selective MAO-B inhibitors. Bioorg Chem. 2021;115:105203. PMID: 34371375. DOI: 10.1016/j.bioorg.2021.105203. http://www.ncbi.nlm.nih.gov/pubmed/34371375
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Ferronato MJ, Nadal Serrano M, Arenas Lahuerta EJ, Bernado Morales C, PaolilloG, Martinez-Sabadell Aliguer A, Santalla H, Mascaro M, Vitale C, Fall Y, ArribasJ, Facchinetti MM, Curino AC. Vitamin D analogues exhibit antineoplastic activityin breast cancer patient-derived xenograft cells. J Steroid Biochem Mol Biol.2021 Apr;208:105735. doi: 10.1016/j.jsbmb.2020.105735. Epub 2020 Aug 9. PubMedPMID: 32784045.
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Artículos Científicos
Graña E, Díaz-Tielas C, Sánchez-Moreiras AM, Reigosa MJ, Celeiro M, Abagyan R, Teijeira M, Duke M V, Clerk T, Pan Z, Duke SO. Transcriptome and binding data indicate that citral inhibits single strand DNA-binding proteins. Physiol Plant. 2020 May;169(1):99–109. PMID: 31828797. DOI: 10.1111/ppl.13055. http://www.ncbi.nlm.nih.gov/pubmed/31828797
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Insa S, Alioune F, Aicha BL, Fama NS, Seydou K, Abdoulaye D, Ismaila C, AbdaB, Amadou D, Sadibou BC, Generosa G, Yagamare F, Matar S. Synthesis,Characterization and Antimicrobial Activities of 1,4- Disubstituted1,2,3-Triazole Compounds. Curr Top Med Chem. 2020;20(25):2289-2299. doi:10.2174/1568026620666200819143029. PubMed PMID: 32814526.
Montemore MM, Santana R, Fall Y, Gonzalez-Diaz H. New Experimental andComputational Tools for Drug Discovery. From Old Way to New Series – Part-X. CurrTop Med Chem. 2020;20(25):2279-2280. doi: 10.2174/156802662025201006144341. Noabstract available. PubMed PMID: 33153419.
Ribone SR, Ferronato MJ, Vitale C, Fall Y, Curino AC, Facchinetti MM, Quevedo MA. Vitamin D receptor exhibits different pharmacodynamic features in tumoral and normal microenvironments: A molecular modeling study. J Steroid Biochem Mol Biol. 2020;200:105649. PMID: 32142933. DOI: 10.1016/j.jsbmb.2020.105649. http://www.ncbi.nlm.nih.gov/pubmed/32142933
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Rodríguez-Enríquez F, Costas-Lago MC, Besada P, Alonso-Pena M, Torres-Terán I, Viña D, Fontenla JÁ, Sturlese M, Moro S, Quezada E, Terán C. Novel coumarin-pyridazine hybrids as selective MAO-B inhibitors for the Parkinson’s disease therapy. Bioorg Chem. 2020;104:104203. PMID: 32932120. DOI: 10.1016/j.bioorg.2020.104203. http://www.ncbi.nlm.nih.gov/pubmed/32932120
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Santalla H, Gandara Z, Gomez-Bouzo U, Gomez G, Fall Y. Easy Access toPolyfunctionalized Chiral Decalins. ACS Omega. 2020 Sep 29;5(40):26049-26055.doi: 10.1021/acsomega.0c03504. eCollection 2020 Oct 13. PubMed PMID: 33073131;PubMed Central PMCID: PMC7557988.
Seck I, Ndoye SF, Ba LA, Fall A, Diop A, Ciss I, Ba A, Sall C, Diop A, Boye CS, Gomez G, Fall Y, Seck M. Access to a Library of 1,3-disubstituted-1,2,3-triazenes and Evaluation of their Antimicrobial Properties. Curr Top Med Chem. 2020;20(9):713–9. PMID: 31985378. DOI: 10.2174/1568026620666200127143005. http://www.ncbi.nlm.nih.gov/pubmed/31985378
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Artículos Científicos
Castiñeira Reis M, López CS, Nieto Faza O, Tantillo DJ. Pushing the limits of concertedness. A waltz of wandering carbocations. Chem Sci. 2019 Feb;10(7):2159–70. PMID: 30881640. DOI: 10.1039/c8sc03567a. http://www.ncbi.nlm.nih.gov/pubmed/30881640
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Castro-Fernández S, Álvarez-García J, García-Río L, Silva-López C, Cid MM. Double Protonation of a cis-Bipyridoallenophane Detected via Chiral-Sensing Switch: The Role of Ion Pairs. Org Lett. 2019 Aug;21(15):5898–902. PMID: 31329450. DOI: 10.1021/acs.orglett.9b02024. http://www.ncbi.nlm.nih.gov/pubmed/31329450
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Cerveri A, Faza ON, López CS, Grilli S, Monari M, Bandini M. Phosphine-Catalyzed Stereoselective Dearomatization of 3-NO2-Indoles with Allenoates. J Org Chem. 2019 May;84(10):6347–55. PMID: 31009560. DOI: 10.1021/acs.joc.9b00559. http://www.ncbi.nlm.nih.gov/pubmed/31009560
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Cid MM, Lago-Silva M, Comesaña MG, Nieto Faza O, López CS. Computational and experimental studies on Cu/Au-catalyzed stereoselective synthesis of 1,3-disubstituted allenes. Org Chem Front. 2019 Jun;6(11):1780–6. DOI: 10.1039/C9QO00364A. https://doi.org/10.1039/C9QO00364A
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Costas-Lago MC, Besada P, Cano E, Terán C. Novel compounds of hybrid structure pyridazinone-coumarin as potent inhibitors of platelet aggregation. Future Med Chem. 2019;11(16):2051–62. PMID: 31538518. DOI: 10.4155/fmc-2018-0373. http://www.ncbi.nlm.nih.gov/pubmed/31538518
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Ferronato MJ, Obiol DJ, Alonso EN, Guevara JA, Grioli SM, Mascaró M, Rivadulla ML, Martínez A, Gómez G, Fall Y, Quevedo MA, Curino AC, Facchinetti MM. Synthesis of a novel analog of calcitriol and its biological evaluation as antitumor agent. J Steroid Biochem Mol Biol. 2019;185:118–36. PMID: 30125657. DOI: 10.1016/j.jsbmb.2018.08.006. http://www.ncbi.nlm.nih.gov/pubmed/30125657
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Gómez E, Requejo PF, Tojo E, Macedo EA. Recovery of flavonoids using novel biodegradable choline amino acids ionic liquids based ATPS. Fluid Phase Equilib. 2019 Aug;493:1–9. DOI: 10.1016/j.fluid.2019.03.024. https://linkinghub.elsevier.com/retrieve/pii/S0378381219301372
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Kosti? M, Verdía P, Fernández?Stefanuto V, Puchta R, Tojo E. A mild and efficient procedure for alkenols oxyselenocyclization by using ionic liquids. J Phys Org Chem. 2019 May;32(5):e3928. DOI: 10.1002/poc.3928. https://onlinelibrary.wiley.com/doi/abs/10.1002/poc.3928
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Marín-Luna M, Nieto Faza O, Silva López C. Gold-Catalyzed Homogeneous (Cyclo)Isomerization Reactions. Front Chem. 2019;7(APR):296. PMID: 31139614. DOI: 10.3389/fchem.2019.00296. http://www.ncbi.nlm.nih.gov/pubmed/31139614
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Obiol DJ, Martinez A, Ferronato MJ, Quevedo MA, Grioli SM, Alonso EN, Gomez G,Fall Y, Facchinetti MM, Curino AC. Novel calcitriol analogue with an oxolanegroup: In vitro, in vivo, and in silico studies. Arch Pharm (Weinheim). 2019May;352(5):e1800315. doi: 10.1002/ardp.201800315. Epub 2019 Apr 26. PubMed PMID:31025400.
Parodi A, Battaglioli S, Liu Y, Monari M, Marín-Luna M, Silva-López C, Bandini M. Scandium catalysed stereoselective thio-allylation of allenyl-imidates. Chem Commun (Camb). 2019 Aug;55(65):9669–72. PMID: 31342026. DOI: 10.1039/c9cc04302k. http://www.ncbi.nlm.nih.gov/pubmed/31342026
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Rodríguez Fernández CD, Arosa Y, López Lago E, Salgado J, Verdía P, Tojo E, Cabeza O, Varela LM, de la Fuente R. New Insights on the Characterization of the Ionic Liquid Crystal 1-Ethyl-3-Methylimidazolium Decylsulfate. J Phys Chem C. 2019 Dec;123(51):31196–211. DOI: 10.1021/acs.jpcc.9b09660. https://pubs.acs.org/doi/10.1021/acs.jpcc.9b09660
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Sintra TE, Vilas M, Martins M, Ventura SPM, Lobo Ferreira AIMC, Santos LMNBF, Gonçalves FJM, Tojo E, Coutinho JAP. Synthesis and Characterization of Surface-Active Ionic Liquids Used in the Disruption of Escherichia Coli Cells. Chemphyschem. 2019;20(5):727–35. PMID: 30672638. DOI: 10.1002/cphc.201801127. http://www.ncbi.nlm.nih.gov/pubmed/30672638
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Terán C, Besada P, Vila N, Costas-Lago MC. Recent advances in the synthesis of phthalazin-1(2H)-one core as a relevant pharmacophore in medicinal chemistry. Eur J Med Chem. 2019 Jan;161:468–78. PMID: 30388463. DOI: 10.1016/j.ejmech.2018.10.047. http://www.ncbi.nlm.nih.gov/pubmed/30388463
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Vidal Vidal Á, de Vicente Poutás LC, Nieto Faza O, López CS. On the Use of Popular Basis Sets: Impact of the Intramolecular Basis Set Superposition Error. Molecules. 2019 Oct;24(20):1–11. PMID: 31652663. DOI: 10.3390/molecules24203810. http://www.ncbi.nlm.nih.gov/pubmed/31652663
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Vidal-Vidal Á, Silva López C, Faza ON. Lennard-Jones Intermolecular Potentials for the Description of 6-Membered Aromatic Heterocycles Interacting with the Isoelectronic CO2 and CS2. J Phys Chem A. 2019 May;123(20):4475–85. PMID: 30916964. DOI: 10.1021/acs.jpca.9b00375. http://www.ncbi.nlm.nih.gov/pubmed/30916964
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Virumbrales C, Solas M, Suárez-Pantiga S, Fernández-Rodríguez MA, Marín-Luna M, López CS, Sanz R. Gold(i)-catalyzed nucleophilic cyclization of ?-monosubstituted o-(alkynyl)styrenes: a combined experimental and computational study. Org Biomol Chem. 2019;17(46):9924–32. PMID: 31720659. DOI: 10.1039/c9ob02126d. http://www.ncbi.nlm.nih.gov/pubmed/31720659
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Artículos Científicos
Ferronato MJ, Alonso EN, Salomón DG, Fermento ME, Gandini NA, Quevedo MA, Mascaró E, Vitale C, Fall Y, Facchinetti MM, Curino AC. Antitumoral effects of the alkynylphosphonate analogue of calcitriol EM1 on glioblastoma multiforme cells. J Steroid Biochem Mol Biol. 2018 Apr;178:22–35. PMID: 29102624. DOI: 10.1016/j.jsbmb.2017.10.019. http://www.ncbi.nlm.nih.gov/pubmed/29102624
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Libros / Capítulos de libros
Perez-Castillo Y, Sotomayor-Burneo S, Helguera AM, D. S. Cordeiro MN, Tejera E, Pazy- Mino C, Sanchez-Rodriguez A, Moreno MF, Teijeira- Bautista M, Ancede-Gallardo E, Borges F, Cruz- Monteagudo M. Computer-aided Drug Discovery Methodologies in the Modeling of Dual Target Ligands as Potential Parkinson’s Disease Therapeutics. Frontiers in Computational Chemistry (Vol4). 2018. p. 48–90. ISBN: 978-1-68108-441-1. http://www.doi.org/10.2174/9781681084411118040004
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Sánchez-Moreiras AM, Graña E, Díaz-Tielas C, López-González D, Araniti F, Celeiro M, Teijeira M, Verdeguer M, Reigosa MJ. Elucidating the Phytotoxic Potential of Natural Compounds. In: Sánchez-Moreiras AM, Reigosa MJ (eds.). Advances in Plant Ecophysiology Techniques. Cham: Springer International Publishing; 2018. p. 363–78. ISBN: 978-3-319-93233-0. https://doi.org/10.1007/978-3-319-93233-0_22
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Teijeira M, Celeiro M. SAR/QSAR. In: Sánchez-Moreiras AM, Reigosa MJ (eds.). Advances in Plant Ecophysiology Techniques. Cham: Springer International Publishing; 2018. p. 347–61. ISBN: 978-3-319-93233-0. https://doi.org/10.1007/978-3-319-93233-0_21
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Artículos Científicos
Belorusova AY, Martínez A, Gándara Z, Gómez G, Fall Y, Rochel N. Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem. 2017 Jul;134:86–96. PMID: 28399453. DOI: 10.1016/j.ejmech.2017.03.081. IF2017: 4.816; D1. http://www.ncbi.nlm.nih.gov/pubmed/28399453
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Canoa P, Rivadulla ML, Popplewell J, van Oosten R, Gómez G, Fall Y. Use of surface plasmon resonance in the binding study of vitamin D, metabolites and analogues with vitamin D binding protein. Anal Bioanal Chem. 2017 Apr;409(10):2547–58. PMID: 28116494. DOI: 10.1007/s00216-017-0200-6. IF2017: 3.307; Q1. http://www.ncbi.nlm.nih.gov/pubmed/28116494
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Costas-Lago MC, Besada P, Rodríguez-Enríquez F, Viña D, Vilar S, Uriarte E, Borges F, Terán C. Synthesis and structure-activity relationship study of novel 3-heteroarylcoumarins based on pyridazine scaffold as selective MAO-B inhibitors. Eur J Med Chem. 2017 Oct;139:1–11. PMID: 28797881. DOI: 10.1016/j.ejmech.2017.07.045. IF2017: 4.816; D1. http://www.ncbi.nlm.nih.gov/pubmed/28797881
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De Deurwaerdère P, Binda C, Corne R, Leone C, Valeri A, Valoti M, Ramsay RR, Fall Y, Marco-Contelles J. Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine. ACS Chem Neurosci. 2017 May;8(5):1026–35. PMID: 27977122. DOI: 10.1021/acschemneuro.6b00377. IF2017: 4.211; Q1. http://www.ncbi.nlm.nih.gov/pubmed/27977122
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García-Garabal S, Vila J, Rilo E, Domínguez-Pérez M, Segade L, Tojo E, Verdía P, Varela LM, Cabeza O. TRANSPORT PROPERTIES FOR 1-ETHYL-3-METHYLIMIDAZOLIUM n-ALKYL SULFATES: POSSIBLE EVIDENCE OF GROTTHUSS MECHANISM. Electrochim Acta. 2017 Mar;231:94–102. DOI: 10.1016/j.electacta.2017.01.197. IF2017: 5.116; Q1. http://linkinghub.elsevier.com/retrieve/pii/S0013468617302499
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Graña E, Costas-Gil A, Longueira S, Celeiro M, Teijeira M, Reigosa MJ, Sánchez-Moreiras AM. Auxin-like effects of the natural coumarin scopoletin on Arabidopsis cell structure and morphology. J Plant Physiol. 2017 Nov;218:45–55. DOI: 10.1016/j.jplph.2017.07.007. IF2017: 2.833; Q1. http://linkinghub.elsevier.com/retrieve/pii/S017616171730189X
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Marco-Contelles J, Fall Y. Editorial: Multitarget Molecules for Alzheimer’s Disease Therapy. Curr Top Med Chem. 2017 Feb;17(31):3318. PMID: 29500890. DOI: 10.2174/156802661731180221110409. IF2017: 3.374; Q2. http://www.ncbi.nlm.nih.gov/pubmed/29500890
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Martínez A, Santalla H, Garrido F, Gómez G, Fall Y. Modified Julia olefination and ? aminoxylation reactions mediated convergent synthesis of 1?, 24 ( R )-dihydroxyvitamin D 3 (tacalcitol). Tetrahedron Lett. 2017 Sep;58(36):3568–70. DOI: 10.1016/j.tetlet.2017.07.103. IF2017: 2.125; Q2. http://linkinghub.elsevier.com/retrieve/pii/S0040403917309735
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Santalla H, Faza ON, Gómez G, Fall Y, Silva López C. From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion. Org Lett. 2017 Jul;19(13):3648–51. PMID: 28641016. DOI: 10.1021/acs.orglett.7b01621. IF2017: 6.492; D1. http://www.ncbi.nlm.nih.gov/pubmed/28641016
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Santalla H, Martínez A, Garrido F, Gómez G, Fall Y. An improved methodology for the synthesis of 1?,25-dihydroxy-20-epi-vitamin D 3 (MC 1288) and Gemini analog Ro-438-3582. Org Chem Front. 2017;4(10):1999–2001. DOI: 10.1039/C7QO00381A. IF2017: 5.455; D1. http://xlink.rsc.org/?DOI=C7QO00381A
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Verdía P, González EJ, Moreno D, Palomar J, Tojo E. Deepening of the Role of Cation Substituents on the Extractive Ability of Pyridinium Ionic Liquids of N-Compounds from Fuels. ACS Sustain Chem Eng. 2017 Feb;5(2):2015–25. DOI: 10.1021/acssuschemeng.6b02922. IF2017:6.140; D1. http://pubs.acs.org/doi/10.1021/acssuschemeng.6b02922
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Artículos Científicos
Ferronato MJ, Alonso EN, Gandini NA, Fermento ME, Villegas ME, Quevedo MA, Arévalo J, López Romero A, Rivadulla ML, Gómez G, Fall Y, Facchinetti MM, Curino AC. The UVB1 Vitamin D analogue inhibits colorectal carcinoma progression. J Steroid Biochem Mol Biol. 2016 Oct;163:193–205. PMID: 27208626. DOI: 10.1016/j.jsbmb.2016.05.019. IF2016: 4.561; Q1. http://www.ncbi.nlm.nih.gov/pubmed/27208626
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Helguera AM, Perez-Castillo Y, D S Cordeiro MN, Tejera E, Paz-Y-Miño C, Sánchez-Rodríguez A, Teijeira M, Ancede-Gallardo E, Cagide F, Borges F, Cruz-Monteagudo M. Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2AAdenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors. Curr Pharm Des. 2016 May;22(21):3082–96. PMID: 26932160. DOI: 10.2174/1381612822666160302103542. IF2016: 2.611; Q2. http://www.ncbi.nlm.nih.gov/pubmed/26932160
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Rocha MAA, Vilas M, Rodrigues ASMC, Tojo E, Santos LMNBF. Physicochemical properties of 2-alkyl-1-ethylpyridinium based ionic liquids. Fluid Phase Equilib. 2016 Nov;428:112–20. DOI: 10.1016/j.fluid.2016.05.030. IF2016: 2.473; Q2. http://linkinghub.elsevier.com/retrieve/pii/S0378381216302734
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Saíz-Urra L, Teijeira M, Rivero-Buceta V, Helguera AM, Celeiro M, Terán MC, Besada P, Borges F. Topological sub-structural molecular design (TOPS-MODE): a useful tool to explore key fragments of human A3 adenosine receptor ligands. Mol Divers. 2016 Feb;20(1):55–76. PMID: 26205409. DOI: 10.1007/s11030-015-9617-z. IF2016: 1.752; Q2. http://www.ncbi.nlm.nih.gov/pubmed/26205409
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Santamarta F, Vilas M, Tojo E, Fall Y. Synthesis and properties of novel chiral imidazolium-based ionic liquids derived from carvone. RSC Adv. 2016;6(37):31177–80. DOI: 10.1039/C6RA00654J. IF2016: 3.108; Q2. http://pubs.rsc.org/-/content/articlelanding/2016/ra/c6ra00654j/unauth#!divAbstract
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Vila N, Besada P, Viña D, Sturlese M, Moro S, Terán C. Synthesis, biological evaluation and molecular modeling studies of phthalazin-1(2H)-one derivatives as novel cholinesterase inhibitors. RSC Adv. 2016 Apr;6(52):46170–85. DOI: 10.1039/C6RA03841G. IF2016: 3.108; Q2. http://xlink.rsc.org/?DOI=C6RA03841G
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Artículos Científicos
Azuaje J, Pérez-Rubio JM, Yaziji V, El Maatougui A, González-Gomez JC, Sánchez-Pedregal VM, Navarro-Vázquez A, Masaguer CF, Teijeira M, Sotelo E. Integrated Ugi-based assembly of functionally, skeletally, and stereochemically diverse 1,4-benzodiazepin-2-ones. J Org Chem. 2015 Feb;80(3):1533–49. PMID: 25560990. DOI: 10.1021/jo502382q. IF2015: 4.785; Q1. http://pubs.acs.org/doi/abs/10.1021/jo502382q
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Costas T, Costas-Lago MC, Vila N, Besada P, Cano E, Terán C. New platelet aggregation inhibitors based on pyridazinone moiety. Eur J Med Chem. 2015 Apr;94:113–22. PMID: 25757094. DOI: 10.1016/j.ejmech.2015.02.061. IF2015: 3.902; Q1. http://www.ncbi.nlm.nih.gov/pubmed/25757094
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Ferronato MJ, Obiol DJ, Fermento ME, Gandini NA, Alonso EN, Salomón DG, Vitale C, Mascaró E, Fall Y, Raimondi AR, Curino AC, Facchinetti MM. The alkynylphosphonate analogue of calcitriol EM1 has potent anti-metastatic effects in breast cancer. J Steroid Biochem Mol Biol. 2015 Nov;154:285–93. PMID: 26365558. DOI: 10.1016/j.jsbmb.2015.09.009. IF2015: 3.985; Q1. http://www.ncbi.nlm.nih.gov/pubmed/26365558
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Ferronato MJ, Salomón DG, Fermento ME, Gandini NA, López Romero A, Rivadulla ML, Pérez-García X, Gómez G, Pérez M, Fall Y, Facchinetti MM, Curino AC. Vitamin D analogue: potent antiproliferative effects on cancer cell lines and lack of hypercalcemic activity. Arch Pharm (Weinheim). 2015 May;348(5):315–29. PMID: 25864390. DOI: 10.1002/ardp.201400448. IF2015: 2.043; Q2Q3. http://doi.wiley.com/10.1002/ardp.201400448
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Lorenzo M, Vilas M, Verdía P, Villanueva M, Salgado J, Tojo E. Long-term thermal stabilities of ammonium ionic liquids designed as potential absorbents of ammonia. RSC Adv. 2015;5(51):41278–84. DOI: 10.1039/C5RA03192C. IF2015: 3.289; Q2. http://xlink.rsc.org/?DOI=C5RA03192C
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Mahrova M, Pagano F, Pejakovic V, Valea A, Kalin M, Igartua A, Tojo E. Pyridinium based dicationic ionic liquids as base lubricants or lubricant additives. Tribol Int. 2015 Feb;82:245–54. DOI: 10.1016/j.triboint.2014.10.018. IF2015: 2.259; Q1. http://linkinghub.elsevier.com/retrieve/pii/S0301679X14003752
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Pazó M, Zúñiga A, Pérez M, Gómez G, Fall Y. Total synthesis of (+)-decytospolides A and B. Tetrahedron Lett. 2015 Jun;56(24):3774–6. DOI: 10.1016/j.tetlet.2015.04.055. IF2015: 2.347; Q2. http://linkinghub.elsevier.com/retrieve/pii/S0040403915006929
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Vila N, Besada P, Costas T, Costas-Lago MC, Terán C. Phthalazin-1(2H)-one as a remarkable scaffold in drug discovery. Eur J Med Chem. 2015 Jun;97:462–82. PMID: 25482553. DOI: 10.1016/j.ejmech.2014.11.043. IF2015: 3.902; Q1. http://www.ncbi.nlm.nih.gov/pubmed/25482553
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Vilas M, González EJ, Tojo E. Extractive denitrogenation of model oils with tetraalkyl substituted pyridinium based ionic liquids. Fluid Phase Equilib. 2015 Jun;396:66–73. DOI: 10.1016/j.fluid.2015.03.032. IF2015: 1.846; Q2. http://linkinghub.elsevier.com/retrieve/pii/S0378381215001545
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Vilas M, Rocha MAA, Fernandes AM, Tojo E, Santos LMNBF. Novel 2-alkyl-1-ethylpyridinium ionic liquids: synthesis, dissociation energies and volatility. Phys Chem Chem Phys. 2015 Jan;17(4):2560–72. PMID: 25493639. DOI: 10.1039/c4cp05191b. IF2015: 4.449; Q1. http://www.ncbi.nlm.nih.gov/pubmed/25493639
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Artículos Científicos
Di Giovanni G, García I, Colangeli R, Pierucci M, Rivadulla ML, Soriano E, Chioua M, Della Corte L, Yáñez M, De Deurwaerdère P, Fall Y, Marco-Contelles J. N-(furan-2-ylmethyl)-N-methylprop-2-yn-1-amine (F2MPA): A potential cognitive enhancer with MAO inhibitor properties. CNS Neurosci Ther. 2014 Jul;20(7):633–40. PMID: 24848125. DOI: 10.1111/cns.12284. IF: 3.931; Q1. http://www.ncbi.nlm.nih.gov/pubmed/24848125
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Díaz M, Ortiz A, Vilas M, Tojo E, Ortiz I. Performance of PEMFC with new polyvinyl-ionic liquids based membranes as electrolytes. Int J Hydrogen Energy. 2014 Mar;39(8):3970–7. DOI: 10.1016/j.ijhydene.2013.04.155. IF: 3.313; Q1. http://linkinghub.elsevier.com/retrieve/pii/S0360319913011336
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García I, Fall Y, Gomez G. Editorial (Thematic Issue: New Synthetic Strategies to Vitamin D Analogues). Curr Top Med Chem. 2014 Dec;14(21):2367–2367. PMID: 25537067. DOI: 10.2174/1568026615666141208105941. IF: 3.402; Q1. http://www.ncbi.nlm.nih.gov/pubmed/25537067
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Pazos G, Pérez M, Gándara Z, Gómez G, Fall Y. Synthesis of a chiral building block for highly functionalized polycyclic ethers. Org Biomol Chem. 2014 Oct;12(39):7750–7. PMID: 25144156. DOI: 10.1039/c4ob01439a. IF: 3.562; Q1. http://www.ncbi.nlm.nih.gov/pubmed/25144156
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Verdía P, Hernaiz M, González EJ, Macedo EA, Salgado J, Tojo E. Effect of the number, position and length of alkyl chains on the physical properties of polysubstituted pyridinium ionic liquids. J Chem Thermodyn. 2014 Feb;69:19–26. DOI: 10.1016/j.jct.2013.09.028. IF: 2.679; Q2. http://linkinghub.elsevier.com/retrieve/pii/S0021961413003479
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