Producción CyT
Artículo
Autoría
VEGA HISSI, ESTEBAN GABRIEL
;
de Costa Guardamagna, Antonella Belén
;
Garro, Adriana del Carmen
;
FALCON, CRISTIAN ROBERTO
;
Anderluh, Marko
;
Toma?i?, Tihomir
;
Kikelj, Danijel
;
YANEFF, AGUSTIN
;
DAVIO, CARLOS ALBERTO
;
ENRIZ, RICARDO DANIEL
;
ZURITA, ADOLFO RAMON
Fecha
2021
Editorial y Lugar de Edición
WILEY-V C H VERLAG GMBH
Revista
CHEMMEDCHEM,
vol. 16
(pp. 2094-2105)
WILEY-V C H VERLAG GMBH
Resumen
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In this work, we report a derivative of N-(piperidin-4-yl)-1H-pyrrole-2-carboxamide as a new inhibitor for adenylyl cyclase of Giardia lamblia which was obtained from a study using structural data of the nucleotidyl cyclase 1 (gNC1) of this parasite. For such a study, we developed a model for this specific enzyme by using homology techniques, which is the first model reported for gNC1 of G. lamblia. Our studies show that the new inhibitor has a competitive mechanism of action against this enzym...
In this work, we report a derivative of N-(piperidin-4-yl)-1H-pyrrole-2-carboxamide as a new inhibitor for adenylyl cyclase of Giardia lamblia which was obtained from a study using structural data of the nucleotidyl cyclase 1 (gNC1) of this parasite. For such a study, we developed a model for this specific enzyme by using homology techniques, which is the first model reported for gNC1 of G. lamblia. Our studies show that the new inhibitor has a competitive mechanism of action against this enzyme. 2-Hydroxyestradiol was used as the reference compound for comparative studies. Results in this work are important from two points of view. on the one hand, an experimentally corroborated model for gNC1 of G. lamblia obtained by molecular modelling is presented; on the other hand, the new inhibitor obtained is an undoubtedly excellent starting structure for the development of new metabolic inhibitors for G. lamblia.
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Palabras Clave
MOLECULAR MEDICINEG. LAMBLIACAMPADENYLYL CYCLASE INHIBITORSMOLECULAR MODELLING
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