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4
Brough, PA
,
Aherne W
,
Barril X
,
Borgognoni J
,
Boxall K
,
Cansfield JE
,
Cheung KM
,
Collins I
,
Davies NG
,
Drysdale MJ
et al.
. 2008.
4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer
.
Journal of medicinal chemistry. 51(2):196-218.
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A
Curutchet, C
,
Poater J
,
Sola M
,
Elguero J
. 2011.
Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles
.
Journal of Physical Chemistry A. 115(30):8571-8577.
Abstract
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C
Brough, PA
,
Barril X
,
Borgognoni J
,
Chene P
,
Davies NG
,
Davis B
,
Drysdale MJ
,
Dymock B
,
Eccles SA
,
Garcia-Echeverria C
et al.
. 2009.
Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone
.
Journal of medicinal chemistry. 52(15):4794-4809.
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Amat, M
,
Perez M
,
Llor N
,
Escolano C
,
Luque FJ
,
Molins E
,
Bosch J
. 2004.
Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids
.
The Journal of organic chemistry. 69(25):8681-8693.
Abstract
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D
Hernandez, J
,
Estelrich J
,
Pouplana R
. 1987.
Determination of the encapsulation efficiency in liposomes obtained by the 'extruder method'
.
Journal of microencapsulation. 4(4):315-320.
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Soliva, R
,
Garcia GR
,
Blas JR
,
Eritja R
,
Asensio JL
,
Gonzalez C
,
Luque FJ
,
Orozco M
. 2000.
DNA-triplex stabilizing properties of 8-aminoguanine
.
Nucleic acids research. 28(22):4531-4539.
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Bidon-Chanal, A
,
Marti MA
,
Estrin DA
,
Luque FJ
. 2007.
Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis
.
Journal of the American Chemical Society. 129(21):6782-6788.
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E
Cubero, E
,
Guimil-Garcia R
,
Luque FJ
,
Eritja R
,
Orozco M
. 2001.
The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine
.
Nucleic acids research. 29(12):2522-2534.
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Flores-Morales, P
,
Diema C
,
Vilaseca M
,
Estelrich J
,
Luque FJ
,
Gutierrez-Oliva S
,
Toro-Labbe A
,
Silva E
. 2011.
Enhanced reactivity of Lys182 explains the limited efficacy of biogenic amines in preventing the inactivation of glucose-6-phosphate dehydrogenase by methylglyoxal
.
Bioorganic & medicinal chemistry. 19(5):1613-1622.
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F
Arroniz, C
,
Escolano C
,
Luque FJ
,
Bosch J
,
Amat M
. 2011.
First asymmetric cascade reaction catalysed by chiral primary aminoalcohols
.
Organic & biomolecular chemistry. 9(14):5079-5085.
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Arroniz, C
,
Molina J
,
Abas S
,
Molins E
,
Campanera JM
,
Luque FJ
,
Escolano C
. 2013.
First diastereoselective [3+2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides
.
Organic and Biomolecular Chemistry. 11:1640-1649.
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H
Capece, L
,
Marti MA
,
Bidon-Chanal A
,
Nadra A
,
Luque FJ
,
Estrin DA
. 2009.
High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases
.
Proteins. 75(4):885-894.
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Cubero, E
,
Avino A
,
de la Torre BG
,
Frieden M
,
Eritja R
,
Luque FJ
,
Gonzalez C
,
Orozco M
. 2002.
Hoogsteen-based parallel-stranded duplexes of DNA. Effect of 8-amino-purine derivatives
.
Journal of the American Chemical Society. 124(12):3133-3142.
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I
Sharp, SY
,
Prodromou C
,
Boxall K
,
Powers MV
,
Holmes JL
,
Box G
,
Matthews TP
,
Cheung KM
,
Kalusa A
,
James K
et al.
. 2007.
Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues
.
Molecular cancer therapeutics. 6(4):1198-1211.
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L
Schmidtke, P
,
Souaille C
,
Estienne F
,
Baurin N
,
Kroemer RT
. 2010.
Large-Scale Comparison of Four Binding Site Detection Algorithms
.
Journal of Chemical Information and Modeling.
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Forti, F
,
Boechi L
,
Bikiel D
,
Marti MA
,
Nardini M
,
Bolognesi M
,
Viappiani C
,
Estrin D
,
Luque FJ
. 2011.
Ligand Migration in Methanosarcina acetivorans Protoglobin: Effects of Ligand Binding and Dimeric Assembly
.
The journal of physical chemistry.B.
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Bidon-Chanal, A
,
Marti MA
,
Crespo A
,
Milani M
,
Orozco M
,
Bolognesi M
,
Luque FJ
,
Estrin DA
. 2006.
Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N
.
Proteins. 64(2):457-464.
Abstract
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M
Estelrich, J
,
Pouplana R
. 1987.
Measurement of a glycoprotein with blood group A activity by light scattering
.
Journal of Biochemical and Biophysical Methods. 14(3):119-126.
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Marti, MA
,
Bidon-Chanal A
,
Crespo A
,
Yeh SR
,
Guallar V
,
Luque FJ
,
Estrin DA
. 2008.
Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N
.
Journal of the American Chemical Society. 130(5):1688-1693.
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Singh, S
,
Thakur N
,
Oliveira A
,
Petruk AA
,
Hade MD
,
Sethi D
,
Bidon-Chanal A
,
Marti MA
,
Datta H
,
Parkesh R
et al.
. 2014.
Mechanistic insight into the enzymatic reduction of truncated hemoglobin N of Mycobacterium tuberculosis: Role of the CD loop and Pre-A motif in electron cycling
.
Journal of Biological Chemistry. 289
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Perissinotti, LL
,
Marti MA
,
Doctorovich F
,
Luque FJ
,
Estrin DA
. 2008.
A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion
.
Biochemistry. 47(37):9793-9802.
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Llabres, S
,
Garcia-Rafes S
,
Cristobal-Lecina E
,
Riera A
,
Borrell JI
,
Camarasa J
,
Pubill D
,
Luque FJ
,
Escubedo E
. 2014.
Molecular basis of the selective binding of MDMA enantiomers to the alpha4beta2 nicotinic receptor subtype: Synthesis, pharmacological evaluation and mechanistic studies
.
European Journal of Medicinal Chemistry. 81
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N
Marti, MA
,
Capece L
,
Bidon-Chanal A
,
Crespo A
,
Guallar V
,
Luque FJ
,
Estrin DA
. 2008.
Nitric oxide reactivity with globins as investigated through computer simulation
.
Methods in enzymology. 437:477-498.
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Camps, P
,
Formosa X
,
Galdeano C
,
Gomez T
,
Munoz-Torrero D
,
Scarpellini M
,
Viayna E
,
Badia A
,
Clos MV
,
Camins A
et al.
. 2008.
Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation
.
Journal of medicinal chemistry. 51(12):3588-3598.
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Eccles, SA
,
Massey A
,
Raynaud FI
,
Sharp SY
,
Box G
,
Valenti M
,
Patterson L
,
de Brandon HA
,
Gowan S
,
Boxall F
et al.
. 2008.
NVP-AUY922: a novel heat shock protein 90 inhibitor active against xenograft tumor growth, angiogenesis, and metastasis
.
Cancer research. 68(8):2850-2860.
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