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Items: 24

1.

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.

De Simone A, Georgiou C, Ioannidis H, Gupta AA, Juárez-Jiménez J, Doughty-Shenton D, Blackburn EA, Wear MA, Richards JP, Barlow PN, Carragher N, Walkinshaw MD, Hulme AN, Michel J.

Chem Sci. 2018 Oct 23;10(2):542-547. doi: 10.1039/c8sc03831g. eCollection 2019 Jan 14.

2.

First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents.

Alencar N, Sola I, Linares M, Juárez-Jiménez J, Pont C, Viayna A, Vílchez D, Sampedro C, Abad P, Pérez-Benavente S, Lameira J, Bautista JM, Muñoz-Torrero D, Luque FJ.

Eur J Med Chem. 2018 Feb 25;146:108-122. doi: 10.1016/j.ejmech.2018.01.044. Epub 2018 Feb 4.

PMID:
29407943
3.

Correction: Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.

Di Pietro O, Juárez-Jiménez J, Muñoz-Torrero D, Laughton CA, Luque FJ.

PLoS One. 2017 Dec 21;12(12):e0190327. doi: 10.1371/journal.pone.0190327. eCollection 2017.

4.

Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.

Llona-Minguez S, Fayezi S, Alihemmati A, Juárez-Jiménez J, Piedrafita FJ, Helleday T.

Bioorg Med Chem Lett. 2017 Sep 15;27(18):4462-4466. doi: 10.1016/j.bmcl.2017.08.006. Epub 2017 Aug 5.

PMID:
28807439
5.

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.

Di Pietro O, Juárez-Jiménez J, Muñoz-Torrero D, Laughton CA, Luque FJ.

PLoS One. 2017 May 15;12(5):e0177683. doi: 10.1371/journal.pone.0177683. eCollection 2017. Erratum in: PLoS One. 2017 Dec 21;12 (12 ):e0190327.

6.

Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel.

Llabrés S, Juárez-Jiménez J, Masetti M, Leiva R, Vázquez S, Gazzarrini S, Moroni A, Cavalli A, Luque FJ.

J Am Chem Soc. 2016 Nov 30;138(47):15345-15358. Epub 2016 Nov 16.

PMID:
27933932
7.

Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.

Mey ASJS, Juárez-Jiménez J, Hennessy A, Michel J.

Bioorg Med Chem. 2016 Oct 15;24(20):4890-4899. doi: 10.1016/j.bmc.2016.07.044. Epub 2016 Jul 21.

PMID:
27485604
8.

Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors.

Di Pietro O, Alencar N, Esteban G, Viayna E, Szałaj N, Vázquez J, Juárez-Jiménez J, Sola I, Pérez B, Solé M, Unzeta M, Muñoz-Torrero D, Luque FJ.

Bioorg Med Chem. 2016 Oct 15;24(20):4835-4854. doi: 10.1016/j.bmc.2016.06.045. Epub 2016 Jun 28.

PMID:
27396685
9.

Behavior of provisional pressure-reducing materials in diabetic foot.

Pabón-Carrasco M, Juárez-Jiménez JM, Reina-Bueno M, Coheña-Jiménez M.

J Tissue Viability. 2016 May;25(2):143-9. doi: 10.1016/j.jtv.2016.02.003. Epub 2016 Feb 12.

PMID:
26922270
10.

A Rare Intermetatarsal Coalition With Rigid Fifth Metatarsal Deformity and Symptomatic Plantar Lesion.

Córdoba-Fernández A, Rayo-Rosado R, López-García D, Juárez-Jiménez JM.

J Foot Ankle Surg. 2016 Sep-Oct;55(5):1091-6. doi: 10.1053/j.jfas.2015.08.016. Epub 2015 Oct 2.

PMID:
26440931
11.

New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode.

Rey-Carrizo M, Gazzarrini S, Llabrés S, Frigolé-Vivas M, Juárez-Jiménez J, Font-Bardia M, Naesens L, Moroni A, Luque FJ, Vázquez S.

Eur J Med Chem. 2015;96:318-29. doi: 10.1016/j.ejmech.2015.04.030. Epub 2015 Apr 14.

PMID:
25899336
12.

The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry.

Rodríguez-Amigo B, Delcanale P, Rotger G, Juárez-Jiménez J, Abbruzzetti S, Summer A, Agut M, Luque FJ, Nonell S, Viappiani C.

J Dairy Sci. 2015 Jan;98(1):89-94. doi: 10.3168/jds.2014-8691. Epub 2014 Nov 14.

13.

Assessing the suitability of the multilevel strategy for the conformational analysis of small ligands.

Juárez-Jiménez J, Barril X, Orozco M, Pouplana R, Luque FJ.

J Phys Chem B. 2015 Jan 22;119(3):1164-72. doi: 10.1021/jp506779y. Epub 2014 Oct 29.

PMID:
25319869
14.

Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies.

Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.

Eur J Med Chem. 2014 Sep 12;84:107-17. doi: 10.1016/j.ejmech.2014.07.021. Epub 2014 Jul 7.

PMID:
25016233
15.

Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus.

Rey-Carrizo M, Barniol-Xicota M, Ma C, Frigolé-Vivas M, Torres E, Naesens L, Llabrés S, Juárez-Jiménez J, Luque FJ, DeGrado WF, Lamb RA, Pinto LH, Vázquez S.

J Med Chem. 2014 Jul 10;57(13):5738-47. doi: 10.1021/jm5005804. Epub 2014 Jun 30.

16.

Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabaté R, Juárez-Jiménez J, Pérez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Muñoz-Torrero D.

J Med Chem. 2014 Mar 27;57(6):2549-67. doi: 10.1021/jm401824w. Epub 2014 Mar 10.

PMID:
24568372
17.

1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.

Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.

Eur J Med Chem. 2014 Feb 12;73:141-52. doi: 10.1016/j.ejmech.2013.12.008. Epub 2013 Dec 18.

PMID:
24389509
18.

Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: role of Asn181 and Ile335 validated by spectroscopic and computational studies.

Juárez-Jiménez J, Mendes E, Galdeano C, Martins C, Silva DB, Marco-Contelles J, do Carmo Carreiras M, Luque FJ, Ramsay RR.

Biochim Biophys Acta. 2014 Feb;1844(2):389-97. doi: 10.1016/j.bbapap.2013.11.003. Epub 2013 Nov 15.

PMID:
24247011
19.
20.

Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease.

Bolea I, Juárez-Jiménez J, de Los Ríos C, Chioua M, Pouplana R, Luque FJ, Unzeta M, Marco-Contelles J, Samadi A.

J Med Chem. 2011 Dec 22;54(24):8251-70. doi: 10.1021/jm200853t. Epub 2011 Nov 15.

PMID:
22023459
21.

Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus.

Duque MD, Ma C, Torres E, Wang J, Naesens L, Juárez-Jiménez J, Camps P, Luque FJ, DeGrado WF, Lamb RA, Pinto LH, Vázquez S.

J Med Chem. 2011 Apr 28;54(8):2646-57. doi: 10.1021/jm101334y. Epub 2011 Apr 5.

22.

A report of a rare case of myxoinflammatory fibroblastic sarcoma.

Córdoba-Fernández A, Juárez-Jiménez JM, Mazuecos-Blanca J, Illanes-Moreno M.

J Am Podiatr Med Assoc. 2010 Nov-Dec;100(6):497-501. Erratum in: J Am Podiatr Med Assoc. 2011 Jan-Feb;101(1):84. Córdoba, Antonio [corrected to Córdoba-Fernández, Antonio].

PMID:
21084537
23.

The use of autologous platelet gel in toenail surgery: a within-patient clinical trial.

Córdoba-Fernández A, Rayo-Rosado R, Juárez-Jiménez JM.

J Foot Ankle Surg. 2010 Jul-Aug;49(4):385-9. doi: 10.1053/j.jfas.2010.04.019. Epub 2010 Jun 3.

PMID:
20605484
24.

Platelet gel for the surgical treatment of onychocryptosis.

Córdoba-Fernandez A, Rayo-Rosado R, Juarez-Jiménez JM.

J Am Podiatr Med Assoc. 2008 Jul-Aug;98(4):296-301.

PMID:
18685050

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