Artículo

Lara-Ramirez, E.E.; López-Cedillo, J.C.; Nogueda-Torres, B.; Kashif, M.; Garcia-Perez, C.; Bocanegra-Garcia, V.; Agusti, R.; Uhrig, M.L.; Rivera, G."An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method" (2017) European Journal of Medicinal Chemistry. 132:249-261
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Abstract:

Chagas disease is one of the most important neglected parasitic diseases afflicting developed and undeveloped countries. There are currently limited options for inexpensive and secure pharmacological treatment. In this study, we employed a structure-based virtual screening protocol for 3180 FDA-approved drugs for repositioning of them as potential trans-sialidase inhibitors. In vitro and in vivo evaluations were performed for the selected drugs against trypomastigotes from the INC-5 and NINOA strains of T. cruzi. Also, inhibition of sialylation by the trans-sialidase enzyme reaction was evaluated using high-performance anion-exchange chromatography with pulse amperometric detection to confirm the mechanism of action. Results from the computational study showed 38 top drugs with the best binding-energies. Four compounds with antihistaminic, anti-hypertensive, and antibiotic properties showed better trypanocidal effects (LC50 range = 4.5–25.8 μg/mL) than the reference drugs, nifurtimox and benznidazole (LC50 range = 36.1–46.8 μg/mL) in both strains in the in vitro model. The anti-inflammatory, sulfasalazine showed moderate inhibition (37.6%) of sialylation in a trans-sialidase enzyme inhibition reaction. Sulfasalazine also showed the best trypanocidal effects in short-term in vivo experiments on infected mice. This study suggests for the first time that the anti-inflammatory sulfasalazine could be used as a lead compound to develop new trans-sialidase inhibitors. © 2017

Registro:

Documento: Artículo
Título:An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method
Autor:Lara-Ramirez, E.E.; López-Cedillo, J.C.; Nogueda-Torres, B.; Kashif, M.; Garcia-Perez, C.; Bocanegra-Garcia, V.; Agusti, R.; Uhrig, M.L.; Rivera, G.
Filiación:Unidad de Investigación Biomédica de Zacatecas, Instituto Mexicano del Seguro Social (IMSS), Zacatecas, 98000, Mexico
Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México, 01130, Mexico
Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa, 88710, Mexico
Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Centro de Investigaciones en Hidratos de Carbono (CIHIDECAR), Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, Pabellón 2, Buenos Aires, 1428, Argentina
Palabras clave:Docking; Drug repositioning; FDA-drugs; Trans-sialidase; Trypanosoma cruzi; anabolic agent; antibiotic agent; antihistaminic agent; antihypertensive agent; azlocillin; cardiac glycoside; cefonicid; cefoperazone; cefsulodin; cromoglycate disodium; dicoumarol; doxazosin mesylate; flubendazole; ketanserin; raloxifene; salazosulfapyridine; sialidase inhibitor; telmisartan; terfenadine; troglitazone; ziprasidone; antiinflammatory agent; antiprotozoal agent; glycoprotein; salazosulfapyridine; sialidase; trans-sialidase; anion exchange chromatography; antihypertensive activity; antimicrobial activity; Article; chemical structure; controlled study; drug repositioning; drug screening; enzymatic assay; enzyme inhibition; enzyme mechanism; food and drug administration; in vitro study; in vivo study; nonhuman; sialylation; Trypanosoma cruzi; animal; antagonists and inhibitors; chemistry; drug effects; drug repositioning; mouse; procedures; structure activity relation; Trypanosoma cruzi; Animals; Anti-Inflammatory Agents; Antiprotozoal Agents; Drug Repositioning; Glycoproteins; Mice; Neuraminidase; Structure-Activity Relationship; Sulfasalazine; Trypanosoma cruzi
Año:2017
Volumen:132
Página de inicio:249
Página de fin:261
DOI: http://dx.doi.org/10.1016/j.ejmech.2017.03.063
Handle:http://hdl.handle.net/20.500.12110/paper_02235234_v132_n_p249_LaraRamirez
Título revista:European Journal of Medicinal Chemistry
Título revista abreviado:Eur. J. Med. Chem.
ISSN:02235234
CODEN:EJMCA
CAS:azlocillin, 37091-65-9, 37091-66-0; cefonicid, 61270-58-4, 61270-78-8; cefoperazone, 62893-19-0, 62893-20-3; cefsulodin, 52152-93-9; cromoglycate disodium, 15826-37-6, 16110-51-3, 93356-79-7, 93356-84-4; dicoumarol, 66-76-2; doxazosin mesylate, 77883-43-3; flubendazole, 31430-15-6; ketanserin, 74050-98-9; raloxifene, 82640-04-8, 84449-90-1; salazosulfapyridine, 599-79-1; telmisartan, 144701-48-4; terfenadine, 50679-08-8; troglitazone, 97322-87-7; ziprasidone, 118289-78-4, 122883-93-6, 138982-67-9, 199191-69-0; sialidase, 9001-67-6; Anti-Inflammatory Agents; Antiprotozoal Agents; Glycoproteins; Neuraminidase; Sulfasalazine; trans-sialidase
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02235234_v132_n_p249_LaraRamirez

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Citas:

---------- APA ----------
Lara-Ramirez, E.E., López-Cedillo, J.C., Nogueda-Torres, B., Kashif, M., Garcia-Perez, C., Bocanegra-Garcia, V., Agusti, R.,..., Rivera, G. (2017) . An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method. European Journal of Medicinal Chemistry, 132, 249-261.
http://dx.doi.org/10.1016/j.ejmech.2017.03.063
---------- CHICAGO ----------
Lara-Ramirez, E.E., López-Cedillo, J.C., Nogueda-Torres, B., Kashif, M., Garcia-Perez, C., Bocanegra-Garcia, V., et al. "An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method" . European Journal of Medicinal Chemistry 132 (2017) : 249-261.
http://dx.doi.org/10.1016/j.ejmech.2017.03.063
---------- MLA ----------
Lara-Ramirez, E.E., López-Cedillo, J.C., Nogueda-Torres, B., Kashif, M., Garcia-Perez, C., Bocanegra-Garcia, V., et al. "An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method" . European Journal of Medicinal Chemistry, vol. 132, 2017, pp. 249-261.
http://dx.doi.org/10.1016/j.ejmech.2017.03.063
---------- VANCOUVER ----------
Lara-Ramirez, E.E., López-Cedillo, J.C., Nogueda-Torres, B., Kashif, M., Garcia-Perez, C., Bocanegra-Garcia, V., et al. An in vitro and in vivo evaluation of new potential trans-sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method. Eur. J. Med. Chem. 2017;132:249-261.
http://dx.doi.org/10.1016/j.ejmech.2017.03.063