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Structure-Activity Relationship
102
"Frustration, function and folding"
(2018) Ferreiro, D.U.; Komives, E.A.; Wolynes, P.G. Current Opinion in Structural Biology. 48:68-73
"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
"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
"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)
"Antiparasitic activity of sulfur- and fluorine-containing bisphosphonates against trypanosomatids and apicomplexan parasites"
(2017) Galaka, T.;Casal, M.F.;Storey, M. (
...
)Rodriguez, J.B. Molecules. 22(1)
"Structural and functional characterization of a cold-adapted stand-alone TPM domain reveals a relationship between dynamics and phosphatase activity"
(2016) Pellizza, L.A.;Smal, C.;Ithuralde, R.E. (
...
)Arán, M. FEBS Journal. 283(23):4370-4385
"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
"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
"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
"A novel missense mutation in the HSD3B2 gene, underlying nonsalt-wasting congenital adrenal hyperplasia. new insight into the structure-function relationships of 3β-hydroxysteroid dehidrogenase type II"
(2015) Baquedano, M.S.;Ciaccio, M.;Marino, R. (
...
)Belgorosky, A. The Journal of clinical endocrinology and metabolism. 100(1):E191-E196
"A novel missense mutation in the HSD3B2 gene, underlying nonsalt-wasting congenital adrenal hyperplasia. New insight into the structurefunction relationships of 3βhydroxysteroid dehidrogenase type II"
(2015) Baquedano, M.S.;Ciaccio, M.;Marino, R. (
...
)Belgorosky, A. Journal of Clinical Endocrinology and Metabolism. 100(1):E191-E196
"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
"New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase"
(2014) Ferrer-Casal, M.;Li, C.;Galizzi, M. (
...
)Rodriguez, J.B. Bioorganic and Medicinal Chemistry. 22(1):398-405
"27-Nor-Δ4-dafachronic acid is a synthetic ligand of Caenorhabditis elegans DAF-12 receptor"
(2013) Samaja, G.A.;Castro, O.;Alvarez, L.D. (
...
)Burton, G. Bioorganic and Medicinal Chemistry Letters. 23(10):2893-2896
"Synthesis and acetylcholinesterase inhibitory activity of polyhydroxylated sulfated steroids: Structure/activity studies"
(2013) Richmond, V.; Murray, A.P.; Maier, M.S. Steroids. 78(11):1141-1147
"When size does matter: Organelle size influences the properties of transport mediated by molecular motors"
(2013) De Rossi, M.C.;Bruno, L.;Wolosiuk, A. (
...
)Levi, V. Biochimica et Biophysica Acta - General Subjects. 1830(11):5095-5103
"Design, synthesis and biological evaluation of WC-9 analogs as antiparasitic agents"
(2013) Elicio, P.D.;Chao, M.N.;Galizzi, M. (
...
)Rodriguez, J.B. European Journal of Medicinal Chemistry. 69:480-489
"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
"Loop A Is Critical for the Functional Interaction of Two Beta vulgaris PIP Aquaporins"
(2013) Jozefkowicz, C.;Rosi, P.;Sigaut, L. (
...
)Alleva, K. PLoS ONE. 8(3)
"Design, synthesis and biological evaluation of sulfur-containing 1,1-bisphosphonic acids as antiparasitic agents"
(2013) Recher, M.;Barboza, A.P.;Li, Z.-H. (
...
)Rodriguez, J.B. European Journal of Medicinal Chemistry. 60:431-440
"Chemoenzymatic synthesis and biological evaluation of 2- and 3-hydroxypyridine derivatives against Leishmania mexicana"
(2012) García Liñares, G.; Parraud, G.; Labriola, C.; Baldessari, A. Bioorganic and Medicinal Chemistry. 20(15):4614-4624
"Improved bioavailability of inhibitors of Trypanosoma cruzi trans-sialidase: PEGylation of lactose analogs with multiarm polyethyleneglycol"
(2012) Giorgi, M.E.;Ratier, L.;Agusti, R. (
...
)De Lederkremer, R.M. Glycobiology. 22(10):1363-1373
"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
"2-alkylaminoethyl-1,1-bisphosphonic acids are potent inhibitors of the enzymatic activity of Trypanosoma cruzi squalene synthase"
(2012) Rodrígues-Poveda, C.A.; González-Pacanowska, D.; Szajnman, S.H.; Rodríguez, J.B. Antimicrobial Agents and Chemotherapy. 56(8):4483-4486
"Synthesis of steroidal quinones and hydroquinones from bile acids by Barton radical decarboxylation and benzoquinone addition. Studies on their cytotoxic and antifungal activities"
(2012) Siless, G.E.;Knott, M.E.;Derita, M.G. (
...
)Palermo, J.A. Steroids. 77(1-2):45-51
"Influence of conformationally restricted pyrimidines on the activity of 10-23 DNAzymes"
(2012) Robaldo, L.;Izzo, F.;Dellafiore, M. (
...
)Iribarren, A.M. Bioorganic and Medicinal Chemistry. 20(8):2581-2586
"Cellulose microfibril crystallinity is reduced by mutating C-terminal transmembrane region residues CESA1 A903V and CESA3 T942I of cellulose synthase"
(2012) Harris, D.M.;Corbin, K.;Wang, T. (
...
)DeBolt, S. Proceedings of the National Academy of Sciences of the United States of America. 109(11):4098-4103
"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)
"Synthesis and biological activity of ring-A difluorinated brassinosteroids"
(2011) Acebedo, S.L.; Alonso, F.; Galagovsky, L.R.; Ramírez, J.A. Steroids. 76(10-11):1016-1020
"Synthesis of multivalent glycoclusters from 1-thio-β-D-galactose and their inhibitory activity against the β-galactosidase from E. coli"
(2011) Cagnoni, A.J.;Varela, O.;Gouin, S.G. (
...
)Uhrig, M.L. Journal of Organic Chemistry. 76(9):3064-3077
"Serine leucocyte proteinase inhibitor-treated monocyte inhibits human CD4+ lymphocyte proliferation"
(2011) Guerrieri, D.;Tateosian, N.L.;Maffía, P.C. (
...
)Chuluyan, H.E. Immunology. 133(4):434-441
"Synthesis and biological evaluation of new 2-alkylaminoethyl-1,1- bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase"
(2011) Rosso, V.S.;Szajnman, S.H.;Malayil, L. (
...
)Rodriguez, J.B. Bioorganic and Medicinal Chemistry. 19(7):2211-2217
"Patagonicosides B and C, two antifungal sulfated triterpene glycosides from the sea cucumber Psolus patagonicus"
(2011) Careaga, V.P.; Muniain, C.; Maier, M.S. Chemistry and Biodiversity. 8(3):467-475
"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
"Overview of anticoagulant activity of sulfated polysaccharides from seaweeds in relation to their structures, focusing on those of green seaweeds"
(2010) Ciancia, M.; Quintana, I.; Cerezo, A.S. Current Medicinal Chemistry. 17(23):2503-2529
"Continuous nonradioactive method for screening trypanosomal transsialidase activity and its inhibitors"
(2010) Sartor, P.A.;Agusti, R.;Leguizamón, M.S. (
...
)de Lederkremer, R.M. Glycobiology. 20(8):982-990
"The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - Oxygen-binding equilibria, kinetics and molecular dynamics"
(2009) Giordano, D.;Boechi, L.;Vergara, A. (
...
)Verde, C. FEBS Journal. 276(8):2266-2277
"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
"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
"Fernene triterpenoids from the lichen Pyxine berteriana"
(2009) Maier, M.S.;Rosso, M.L.;Fazio, A.T. (
...
)Bertoni, M.D. Journal of Natural Products. 72(10):1902-1904
"Dynamical characterization of the heme NO oxygen binding (HNOX) domain. Insight into soluble guanylate cyclase allosteric transition"
(2008) Capece, L.; Estrin, D.A.; Marti, M.A. Biochemistry. 47(36):9416-9427
"Synthesis and biological evaluation of 2-alkylaminoethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase"
(2008) Szajnman, S.H.;García Liñares, G.E.;Li, Z.-H. (
...
)Rodriguez, J.B. Bioorganic and Medicinal Chemistry. 16(6):3283-3290
"Regulation of ovarian angiogenesis and apoptosis by GnRH-I analogs"
(2008) Parborell, F.; Irusta, G.; Celín, A.R.; Tesone, M. Molecular Reproduction and Development. 75(4):623-631
"Structural and functional properties of hydration and confined water in membrane interfaces"
(2008) Disalvo, E.A.;Lairion, F.;Martini, F. (
...
)Gordillo, G.J. Biochimica et Biophysica Acta - Biomembranes. 1778(12):2655-2670
"Structure/function relationships of several biopolymers as related to invertase stability in dehydrated systems"
(2008) Santagapita, P.R.;Brizuela, L.G.;Mazzobre, M.F. (
...
)Buera, M.P. Biomacromolecules. 9(2):741-747
"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
"Dehydroepiandrosterone, epiandrosterone and synthetic derivatives inhibit Junin virus replication in vitro"
(2008) Acosta, E.G.;Bruttomesso, A.C.;Bisceglia, J.A. (
...
)Castilla, V. Virus Research. 135(2):203-212
"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
"Identification of regions critically affecting kinetics and allosteric regulation of the Escherichia coli ADP-glucose pyrophosphorylase by modeling and pentapeptide-scanning mutagenesis"
(2007) Ballicora, M.A.;Erben, E.D.;Yazaki, T. (
...
)Preiss, J. Journal of Bacteriology. 189(14):5325-5333
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics"
(2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"Design, synthesis, and biological evaluation of phosphinopeptides against Trypanosoma cruzi targeting trypanothione biosynthesis"
(2006) Ravaschino, E.L.; Docampo, R.; Rodriguez, J.B. Journal of Medicinal Chemistry. 49(1):426-435
"6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity"
(2005) Veleiro, A.S.;Pecci, A.;Monteserín, M.C. (
...
)Burton, G. Journal of Medicinal Chemistry. 48(18):5675-5683
"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
"Synthesis and biological evaluation of 1-amino-1,1-bisphosphonates derived from fatty acids against Trypanosoma cruzi targeting farnesyl pyrophosphate synthase"
(2005) Szajnman, S.H.; Ravaschino, E.L.; Docampo, R.; Rodriguez, J.B. Bioorganic and Medicinal Chemistry Letters. 15(21):4685-4690
"Photochemistry of the alkaloids eudistomin N (6-bromo-nor-harmane) and eudistomin O (8-bromo-nor-harmane) and other bromo-β-carbolines"
(2005) Tarzi, O.I.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 80(1):29-45
"Development of β-Lapachone prodrugs for therapy against human cancer cells with elevated NAD(P)H:quinone oxidoreductase 1 levels"
(2005) Reinicke, K.E.;Bey, E.A.;Bentle, M.S. (
...
)Boothman, D.A. Clinical Cancer Research. 11(8):3055-3064
"A small fraction of dermatan sulfate with significantly increased anticoagulant activity was selected by interaction with the first complement protein"
(2004) Calabrese, G.C.;Alberto, M.F.;Tubio, R. (
...
)Recondo, E.F. Thrombosis Research. 113(3-4):243-250
"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
"Sulfated seaweed polysaccharides as antiviral agents"
(2004) Damonte, E.B.; Matulewicz, M.C.; Cerezo, A.S. Current Medicinal Chemistry. 11(18):2399-2419
"Synthesis and GABAA receptor activity of a 6,19-oxido analogue of pregnanolone"
(2003) Veleiro, A.S.;Rosenstein, R.E.;Jaliffa, C.O. (
...
)Burton, G. Bioorganic and Medicinal Chemistry Letters. 13(3):343-346
"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
"Design, synthesis, and biological evaluation of aryloxyethyl thiocyanate derivatives against Trypanosoma cruzi"
(2002) Elhalem, E.;Bailey, B.N.;Docampo, R. (
...
)Rodriguez, J.B. Journal of Medicinal Chemistry. 45(18):3984-3999
"Photoinduced electron transfer and chemical α-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides"
(2002) Chiocconi, A.; Marino, C.; Otal, E.; De Lederkremer, R.M. Carbohydrate Research. 337(21-23):2119-2126
"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
"Preparation and cytotoxicity toward cancer cells of mono(arylimino) derivatives of β-lapachone"
(2001) Di Chenna, P.H.;Benedetti-Doctorovich, V.;Baggio, R.F. (
...
)Burton, G. Journal of Medicinal Chemistry. 44(15):2486-2489
"Rapeseed chloroplast thioredoxin-m modulation of the affinity for target proteins"
(2001) Duek, P.D.; Wolosiuk, R.A. Biochimica et Biophysica Acta - Protein Structure and Molecular Enzymology. 1546(2):299-311
"Hydrogen bonding and O2 affinity of hemoglobins [3]"
(2001) Scherlis, D.A.; Estrin, D.A. Journal of the American Chemical Society. 123(34):8436-8437
"Design and synthesis of aryloxyethyl thiocyanate derivatives as potent inhibitors of Trypanosoma cruzi proliferation"
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