Lista de

structure activity relation
118
"Frustration, function and folding" (2018) Ferreiro, D.U.; Komives, E.A.; Wolynes, P.G. Current Opinion in Structural Biology. 48:68-73
"Determining the virus life-cycle stage blocked by an antiviral" (2018) Sepúlveda, C.S.; García, C.C.; Damonte, E.B. Methods in Molecular Biology. 1604:371-392
"Oxidation at C-16 enhances butyrylcholinesterase inhibition in lupane triterpenoids" (2018) Castro, M.J.; Richmond, V.; Faraoni, M.B.; Murray, A.P. Bioorganic Chemistry. 79:301-309
"Synthesis, molecular docking and biological evaluation of novel phthaloyl derivatives of 3-amino-3-aryl propionic acids as inhibitors of Trypanosoma cruzi trans-sialidase" (2018) Kashif, M.;Chacón-Vargas, K.F.;López-Cedillo, J.C. (...)Rivera, G. European Journal of Medicinal Chemistry. 156:252-268
"Isolation and Antifouling Activity of Azulene Derivatives from the Antarctic Gorgonian Acanthogorgia laxa" (2018) Patiño Cano, L.P.;Quintana Manfredi, R.;Pérez, M. (...)Palermo, J.A. Chemistry and Biodiversity. 15(1)
"Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis" (2018) Defelipe, L.A.; Osman, F.; Marti, M.A.; Turjanski, A.G. Biochemical and Biophysical Research Communications. 498(2):288-295
"Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis" (2018) Defelipe, L.A.; Osman, F.; Marti, M.A.; Turjanski, A.G. Biochemical and Biophysical Research Communications. 498(2):288-295
"Chemoenzymatic synthesis of new derivatives of glycyrrhetinic acid with antiviral activity. Molecular docking study" (2018) Zígolo, M.A.;Salinas, M.;Alché, L. (...)Liñares, G.G. Bioorganic Chemistry. 78:210-219
"Synthesis and in vitro antiproliferative activities of (5-aryl-1,2,4-oxadiazole-3-yl) methyl D-ribofuranosides" (2017) Avanzo, R.E.; Padrón, J.M.; D'Accorso, N.B.; Fascio, M.L. Bioorganic and Medicinal Chemistry Letters. 27(16):3674-3677
"Evolved distal tail carbohydrate binding modules of Lactobacillus phage J-1: a novel type of anti-receptor widespread among lactic acid bacteria phages" (2017) Dieterle, M.-E.;Spinelli, S.;Sadovskaya, I. (...)Cambillau, C. Molecular Microbiology. 104(4):608-620
"Selenium-containing analogues of WC-9 are extremely potent inhibitors of Trypanosoma cruzi proliferation" (2017) Chao, M.N.;Storey, M.;Li, C. (...)Rodriguez, J.B. Bioorganic and Medicinal Chemistry. 25(24):6435-6449
"Differential contribution of subunit interfaces to α9α10 nicotinic acetylcholine receptor function" (2017) Boffi, J.C.;Marcovich, I.;Gill-Thind, J.K. (...)Elgoyhen, A.B. Molecular Pharmacology. 91(3):250-262
"Synthesis and cytotoxicity evaluation of A-ring derivatives of cycloartanone" (2017) Zambrano, E.E.;Casas, A.G.;Di Venosa, G.M. (...)Palermo, J.A. Phytochemistry Letters. 21:200-205
"An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method" (2017) Lara-Ramirez, E.E.;López-Cedillo, J.C.;Nogueda-Torres, B. (...)Rivera, G. European Journal of Medicinal Chemistry. 132:249-261
"Inferring repeat-protein energetics from evolutionary information" (2017) Espada, R.;Parra, R.G.;Mora, T. (...)Ferreiro, D.U. PLoS Computational Biology. 13(6)
"Evolutionary and Functional Relationships in the Truncated Hemoglobin Family" (2016) Bustamante, J.P.;Radusky, L.;Boechi, L. (...)Martí, M.A. PLoS Computational Biology. 12(1)
"Polyhydroxylated sulfated steroids derived from 5α-cholestanes as antiviral agents against herpes simplex virus" (2016) Pujol, C.A.;Sepúlveda, C.S.;Richmond, V. (...)Damonte, E.B. Archives of Virology. 161(7):1993-1999
"Structure-based activity prediction of CYP21A2 stability variants: A survey of available gene variations" (2016) Bruque, C.D.;Delea, M.;Fernández, C.S. (...)Dain, L. Scientific Reports. 6
"WC-9 a lead drug with great prospects for American trypanosomiasis and toxoplasmosis" (2016) Rodriguez, J.B. Mini-Reviews in Medicinal Chemistry. 16(15):1195-1200
"Immunotoxicity of commercial-mixed glyphosate in broad snouted caiman (Caiman latirostris)" (2016) Siroski, P.A.;Poletta, G.L.;Latorre, M.A. (...)Mudry, M.D. Chemico-Biological Interactions. 244:64-70
"Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways" (2016) Estarellas, C.;Capece, L.;Seira, C. (...)Christov C.Z. Advances in Protein Chemistry and Structural Biology. 105:59-80
"Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications" (2016) Álvarez, L.;Lewis-Ballester, A.;Roitberg, A. (...)Capece, L. Biochemistry. 55(19):2785-2793
"Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities" (2015) Leverrier, A.;Bero, J.;Cabrera, J. (...)Palermo, J.A. European Journal of Medicinal Chemistry. 100(1):10-17
"Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities" (2015) Leverrier, A.;Bero, J.;Cabrera, J. (...)Palermo, J.A. European Journal of Medicinal Chemistry. 100(1):10-17
"Exploring the molecular basis of neurosteroid binding to the β3 homopentameric GABAA receptor" (2015) Alvarez, L.D.; Estrin, D.A. Journal of Steroid Biochemistry and Molecular Biology. 154:159-167
"Enzymatic synthesis of bile acid derivatives and biological evaluation against Trypanosoma cruzi" (2015) García Liñares, G.;Antonela Zígolo, M.;Simonetti, L. (...)Baldessari, A. Bioorganic and Medicinal Chemistry. 23(15):4804-4814
"Exploring the molecular basis of action of ring D aromatic steroidal antiestrogens" (2015) Alvarez, L.D.; Veleiro, A.S.; Burton, G. Proteins: Structure, Function and Bioinformatics. 83(7):1297-1306
"Structural basis of redox-dependent modulation of galectin-1 dynamics and function" (2014) Guardia, C.M.;Caramelo, J.J.;Trujillo, M. (...)Rabinovich, G.A. Glycobiology. 24(5):428-441
"Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line" (2014) Lang, K.L.;Silva, I.T.;Machado, V.R. (...)De Melo, E.B. Journal of Molecular Graphics and Modelling. 48:70-79
"Synthesis and cholinesterase inhibition of cativic acid derivatives" (2014) Alza, N.P.;Richmond, V.;Baier, C.J. (...)Murray, A.P. Bioorganic and Medicinal Chemistry. 22(15):3838-3849
"QSAR on antiproliferative naphthoquinones based on a conformation- independent approach" (2014) Duchowicz, P.R.;Bennardi, D.O.;Bacelo, D.E. (...)Misico, R.I. European Journal of Medicinal Chemistry. 77:176-184
"Synthesis and biological evaluation of salpichrolide analogs as antiestrogenic agents" (2014) Sonego, J.M.;Rivero, E.M.;Gargiulo, L. (...)Burton, G. European Journal of Medicinal Chemistry. 82:233-241
"Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines" (2014) Cardama, G.A.;Comin, M.J.;Hornos, L. (...)Menna, P.L. Anti-Cancer Agents in Medicinal Chemistry. 14(6):840-851
"Preparation, anticholinesterase activity and molecular docking of new lupane derivatives" (2014) Castro, M.J.;Richmond, V.;Romero, C. (...)Murray, A.P. Bioorganic and Medicinal Chemistry. 22(13):3341-3350
"Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones" (2014) Martins Alho, M.A.;Marrero-Ponce, Y.;Barigye, S.J. (...)Arán, V.J. Bioorganic and Medicinal Chemistry. 22(5):1568-1585
"Multicomponent synthesis of 4,4-dimethyl sterol analogues and their effect on eukaryotic cells" (2014) Alonso, F.;Cirigliano, A.M.;Dávola, M.E. (...)Ramírez, J.A. Steroids. 84:1-6
"Organization of columnar inputs in the third optic ganglion of a highly visual crab" (2014) Bengochea, M.; Berón de Astrada, M. Journal of Physiology Paris. 108(2-3):61-70
"Molecular basis of mineralocorticoid receptor action in the nervous system" (2013) Molinari, A.M.;Machado-Rada, M.Y.;Mazaira, G.I. (...)Galigniana, M.D. CNS and Neurological Disorders - Drug Targets. 12(8):1163-1174
"Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): Structural and computational study" (2013) Rudzka, K.;Moreno, D.M.;Eipper, B. (...)Amzel, L.M. Journal of Biological Inorganic Chemistry. 18(2):223-232
"The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin" (2013) Ferreiro, D.N.; Boechi, L.; Estrin, D.A.; Martí, M.A. Journal of Inorganic Biochemistry. 119:75-84
"Alterations of fibrin network structure mediated by dermatan sulfate" (2013) Lauricella, A.M.; Castañon, M.M.; Kordich, L.C.; Quintana, I.L. Journal of Thrombosis and Thrombolysis. 35(2):257-263
"In Silico Structural and Functional Characterization of the RSUME Splice Variants" (2013) Gerez, J.;Fuertes, M.;Tedesco, L. (...)Arzt, E. PLoS ONE. 8(2)
"Synthesis of 6-azaprogesterone and 19-hydroxy-6-azasteroids" (2013) Martínez, M.D.;Edelsztein, V.C.;Durán, F.J. (...)Burton, G. Steroids. 78(1):34-37
"Synthesis and cytotoxic activity evaluation of dihydrocucurbitacin B and cucurbitacin B derivatives" (2012) Lang, K.L.;Silva, I.T.;Zimmermann, L.A. (...)Durán, F.J. Bioorganic and Medicinal Chemistry. 20(9):3016-3030
"Functional characterization of residues involved in redox modulation of maize photosynthetic NADP-Malic enzyme activity" (2012) Alvarez, C.E.;Detarsio, E.;Moreno, S. (...)Drincovich, M.F. Plant and Cell Physiology. 53(6):1144-1153
"Sequence Evolution of the Intrinsically Disordered and Globular Domains of a Model Viral Oncoprotein" (2012) Chemes, L.B.;Glavina, J.;Alonso, L.G. (...)Sánchez, I.E. PLoS ONE. 7(10)
"Antiviral activity against dengue virus of diverse classes of algal sulfated polysaccharides" (2012) Pujol, C.A.; Ray, S.; Ray, B.; Damonte, E.B. International Journal of Biological Macromolecules. 51(4):412-416
"Biological activity and ligand binding mode to the progesterone receptor of A-homo analogues of progesterone" (2011) Alvarez, L.D.;Dansey, M.V.;Martí, M.A. (...)Burton, G. Bioorganic and Medicinal Chemistry. 19(5):1683-1691
"Inhibitory effect of quercetin on matrix metalloproteinase 9 activity Molecular mechanism and structure-activity relationship of the flavonoid-enzyme interaction" (2010) Saragusti, A.C.;Ortega, M.G.;Cabrera, J.L. (...)Chiabrando, G.A. European Journal of Pharmacology. 644(1-3):138-145
"Antiproliferative activity of synthetic naphthoquinones related to lapachol. First synthesis of 5-hydroxylapachol" (2010) Bonifazi, E.L.;Ríos-Luci, C.;León, L.G. (...)Misico, R.I. Bioorganic and Medicinal Chemistry. 18(7):2621-2630
"Xylans from Scinaia hatei: Structural features, sulfation and anti-HSV activity" (2010) Mandal, P.;Pujol, C.A.;Damonte, E.B. (...)Ray, B. International Journal of Biological Macromolecules. 46(2):173-178
"Synthesis and biological evaluation of N-thia-carba-thymidine as an antiherpetic agent" (2010) Elhalem, E.; Pujol, C.A.; Damonte, E.B.; Rodriguez, J.B. Tetrahedron. 66(18):3332-3340
"Insights on glucocorticoid receptor activity modulation through the binding of rigid steroids" (2010) Presman, D.M.;Alvarez, L.D.;Levi, V. (...)Pecci, A. PLoS ONE. 5(10)
"Sulfated xylomannans from the red seaweed Sebdenia polydactyla: Structural features, chemical modification and antiviral activity" (2009) Ghosh, T.;Pujol, C.A.;Damonte, E.B. (...)Ray, B. Antiviral Chemistry and Chemotherapy. 19(6):235-242
"New lead compounds in the search for pure antiglucocorticoids and the dissociation of antiglucocorticoid effects" (2009) Pecci, A.;Alvarez, L.D.;Veleiro, A.S. (...)Burton, G. Journal of Steroid Biochemistry and Molecular Biology. 113(3-5):155-162
"Allopregnanolone (3α-Hydroxy-5α-pregnan-20-one) derivatives with a polar chain in position 16α: Synthesis and activity" (2009) Slavíková, B.;Krištofíková, Z.;Chodounská, H. (...)Kasal, A. Journal of Medicinal Chemistry. 52(7):2119-2125
"Structure-activity relationships of neuroactive steroids acting on the GABAA receptor" (2009) Veleiro, A.S.; Burton, G. Current Medicinal Chemistry. 16(4):455-472
"Role of pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis" (2009) Lama, A.;Pawaria, S.;Bidon-Chanal, A. (...)Dikshit, K.L. Journal of Biological Chemistry. 284(21):14457-14468
"Synthesis and GABAA receptor activity of 2,19-sulfamoyl analogues of allopregnanolone" (2009) Durán, F.J.;Edelsztein, V.C.;Ghini, A.A. (...)Burton, G. Bioorganic and Medicinal Chemistry. 17(18):6526-6533
"Synthesis of pentopyranosyl-containing thiodisaccharides. Inhibitory activity against β-glycosidases" (2009) Cagnoni, A.J.; Uhrig, M.L.; Varela, O. Bioorganic and Medicinal Chemistry. 17(17):6203-6212
"Synthesis and antiviral activity of azoles obtained from carbohydrates" (2008) Barradas, J.S.;Errea, M.I.;D'Accorso, N.B. (...)Damonte, E.B. Carbohydrate Research. 343(14):2468-2474
"Hemisuccinate of 21-hydroxy-6,19-epoxyprogesterone: A tissue-specific modulator of the glucocorticoid receptor" (2008) Álvarez, L.D.;Martí, M.A.;Veleiro, A.S. (...)Burton, G. ChemMedChem. 3(12):1869-1877
"Current status and progress made in malaria chemotherapy" (2007) Liñares, G.E.G.; Rodriguez, J.B. Current Medicinal Chemistry. 14(3):289-314
"Syntheses of immunomodulating androstanes and stigmastanes: Comparison of their TNF-α inhibitory activity" (2007) Ramírez, J.A.;Bruttomesso, A.C.;Michelini, F.M. (...)Galagovsky, L.R. Bioorganic and Medicinal Chemistry. 15(24):7538-7544
"Sperm protein "DE" mediates gamete fusion through an evolutionarily conserved site of the CRISP family" (2006) Ellerman, D.A.;Cohen, D.J.;Da Ros, V.G. (...)Cuasnicú, P.S. Developmental Biology. 297(1):228-237
"Nucleoside phosphorylases" (2006) Lewkowicz, E.S.; Iribarren, A.M. Current Organic Chemistry. 10(11):1197-1215
"The antennal benzoic acid receptor cell of the female silk moth Bombyx mori L.: Structure-activity relationship studies with halogen substitutes" (2005) Sanchez, M.G.D.B.; Kaissling, K.-E. Journal of Comparative Physiology A: Neuroethology, Sensory, Neural, and Behavioral Physiology. 191(2):189-196
"Molecular mechanism of activation and nuclear translocation of the mineralocorticoid receptor upon binding of pregnanesteroids" (2004) Galigniana, M.D.;Pilipuk, G.P.;Kanelakis, K.C. (...)Lantos, C.P. Molecular and Cellular Endocrinology. 217(1-2):167-179
"Antiviral activity of natural and synthetic brassinosteroids" (2004) Wachsman, M.B.;Ramírez, J.A.;Talarico, L.B. (...)Coto, C.E. Current Medicinal Chemistry: Anti-Infective Agents. 3(2):163-179
"Oxido-bridged neurosteroid analogues. Synthesis of 2,19-oxido-allopregnanolone" (2003) Eduardo, S.L.; Ghini, A.A.; Burton, G. Arkivoc. 2003(10):468-476
"Synthesis and isolation of chloro-β-carbolines obtained by chlorination of β-carboline alkaloids in solution and in solid state" (2003) Ponce, M.A.; Tarzi, O.I.; Erra-Balsells, R. Journal of Heterocyclic Chemistry. 40(3):419-426
"Inhibitory effect of thiosemicarbazone derivatives on Junin virus replication in vitro" (2003) García, C.C.;Brousse, B.N.;Carlucci, M.J. (...)Damonte, E.B. Antiviral Chemistry and Chemotherapy. 14(2):99-105
"Heparan sulphate: A putative decondensing agent for human spermatozoa in vivo" (2003) Romanato, M.;Cameo, M.S.;Bertolesi, G. (...)Calvo, L. Human Reproduction. 18(9):1868-1873
"Antifungal steroidal glycosides from the Patagonian starfish Anasterias minuta: Structure - Activity correlations" (2002) Chludil, H.D.; Seldes, A.M.; Maier, M.S. Journal of Natural Products. 65(2):153-157
"Expression and structure-function analysis of DE, a sperm cysteine-rich secretory protein that mediates gamete fusion" (2002) Ellerman, D.A.;Da Ros, V.G.;Cohen, D.J. (...)Cuasnicú, P.S. Biology of Reproduction. 67(4):1225-1231
"Antiviral activity of brassinosteroids derivatives against measles virus in cell cultures" (2002) Wachsman, M.B.; Ramirez, J.A.; Galagovsky, L.R.; Coto, C.E. Antiviral Chemistry and Chemotherapy. 13(1):61-66
"Correlation between pregnanesteroid conformation, receptor affinity, and anti-natriuretic effect" (2002) Piwien-Pilipuk, G.; Kanelakis, K.C.; Galigniana, M.D. European Journal of Pharmacology. 454(2-3):131-143
"Structure-activity relationship studies in a set of new brassinosteroid derivatives assayed against herpes simplex virus type 1 and 2 in cell cultures" (2002) Talarico, L.B.; Ramírez, J.A.; Galagovsky, L.R.; Wachsman, M.B. Medicinal Chemistry Research. 11(8):434-444
"Activated carbons developed from a rapidly renewable biosource for removal of cadmium(II) and nickel(II) ions from dilute aqueous solutions" (2002) Basso, M.C.; Cerrella, E.G.; Cukierman, A.L. Industrial and Engineering Chemistry Research. 41(2):180-189
"The crystal and molecular structure of sodium pentacyanoammineferrate(II) heptahydrate. Role of intermolecular hydrogen-bond interactions" (2001) Parise, A.R.; Piro, O.E.; Castellano, E.E.; Olabe, J.A. Inorganica Chimica Acta. 319(1-2):199-202
"Synthesis of β-D-galactofuranosyl nucleoside analogues. A new type of β-D-galactofuranosidase inhibitor" (2001) Marino, C.; Herczegh, P.; De Lederkremer, R.M. Carbohydrate Research. 333(2):123-128
"Behavior of free sugar thiosemicarbazones toward heterocyclization reactions" (2000) Martins Alho, M.A.; D'Accorso, N.B. Carbohydrate Research. 328(4):481-488
"Effects on bioactivity due to C-5 heteroatom substituents on synthetic 28-homobrassinosteroid analogs" (2000) Ramírez, J.A.; Gros, E.G.; Galagovsky, L.R. Tetrahedron. 56(34):6171-6180
"Structure-properties relationship of dimeric surfactants from butyl glucosides" (2000) Castro, M.J.L.; Kovensky, J.; Fernández Cirelli, A. Molecules. 5(3):608-609
"Acyclic analogues of deoxyadenosine 3',5'-bisphosphates as P2Y 1 receptor antagonists" (2000) Kim, Y.-C.;Gallo-Rodriguez, C.;Jang, S.-Y. (...)Jacobson, K.A. Journal of Medicinal Chemistry. 43(4):746-755
"Interactions that define the alkylamine side-chain conformation in phenylalkylamine hallucinogens: An ab initio study" (2000) Taurian, O.E.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 504(1-3):119-126
"New spiranoid withanolides from Jaborosa odonelliana" (2000) Cirigliano, A.M.; Veleiro, A.S.; Oberti, J.C.; Burton, G. Molecules. 5(3):441-442
"Hemolytic uremic syndrome in children: Platelet aggregation and membrane glycoproteins" (1999) Sassetti, B.;Vizcargüénaga, M.I.;Zanaro, N.L. (...)Sanchez Avalos, J.C. Journal of Pediatric Hematology/Oncology. 21(2):123-128
"Expression and biochemical characterisation of recombinant AceA, a bacterial α-mannosyltransferase" (1999) Geremia, R.A.;Roux, M.;Ferreiro, D.U. (...)Ielpi, L. Molecular and General Genetics. 261(6):933-940
"Growth inhibitory effect of juvenile hormone analogues on epimastigotes of Trypanosoma cruzi" (1998) Rodriguez, J.B.;Zhong, L.;Docampo, R. (...)Gros, E.G. Bioorganic and Medicinal Chemistry Letters. 8(22):3257-3260
"Influence of calf serum on glucocorticoid-responses of certain progesterone derivatives" (1998) Vicent, G.P.;Burton, G.;Ghini, A. (...)Galigniana, M.D. Journal of Steroid Biochemistry and Molecular Biology. 66(4):211-216
"16-hydroxylated withanolides from Exodeconus maritimus" (1997) Gil, R.R.;Misico, R.I.;Sotes, I.R. (...)Burton, G. Journal of Natural Products. 60(6):568-572
"Evaluation of the porphyrinogenic risk of antineoplastics" (1997) Cochón, A.C.; Aldonatti, C.; San Martín De Viale, L.C.; De Calmanovici, R.W. Journal of Applied Toxicology. 17(3):171-177
"Reactions of per-O-benzoyl-β-D-galf isothiocyanate, a chiral resolving agent" (1997) Marino, C.; Varela, O.; De Lederkremer, R.M. Tetrahedron. 53(47):16009-16016
"Design, synthesis, and biological evaluation of new growth inhibitors of Trypanosoma cruzi (epimastigotes)" (1997) Schvartzapel, A.J.;Zhong, L.;Docampo, R. (...)Gros, E.G. Journal of Medicinal Chemistry. 40(15):2314-2322
"Effects of Juvenile Hormone Analogues (JHA) on the Development of Trypanosoma cruzi" (1995) Fichera, L.;Esteva, M.;Wimmer, Z. (...)Gros, E.G. Zeitschrift fur Naturforschung - Section C Journal of Biosciences. 50(7-8):578-580
"Effect of sulfation on the biological activity of β-(1→3)-glucans from the tree fungus Cyttaria harioti Fischer" (1989) Fernandez Cirelli, A.;Covian, J.A.;Ohno, N. (...)Yadomae, T. Carbohydrate Research. 190(2):329-337