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Revista Facultad de Ciencias Básicas
Article . 2013 . Peer-reviewed
License: CC BY NC ND
Data sources: Crossref
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Revista Facultad de Ciencias Básicas
Article
License: CC BY NC ND
Data sources: UnpayWall
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Diterpenos de Núcleo Kaurano como Inhibidores de la PTR1 de Leishmania: un Estudio In-Silico

Authors: Luisa Orduz Díaz; Freddy Bernal; Ericsson Coy Barrera;

Diterpenos de Núcleo Kaurano como Inhibidores de la PTR1 de Leishmania: un Estudio In-Silico

Abstract

<p>La pteridina reductasa-1 (PTR1) ha sido descubierta como la responsable de la reducción de la susceptibilidad a antifolatos (e.g., metotrexato) de parásitos tripanosómicos, lo cual la ha convertido en un objetivo quimioterapeútico. Por esta razón, trece diterpenos conocidos, de núcleo kaurano, fueron evaluados <em>in silico </em>contra la PTR1, mediante docking molecular y modelamiento farmacofórico. El docking molecular mostró claras interacciones polares con algunos residuos del sitio activo de la PTR1, que dependieron principalmente de la presencia de un grupo carboxilo en C19. Estos resultados fueron corroborados por el mapeo de interacciones residuales, indicando que los ácidos kauren-19-oicos poseen las características estructurales importantes para una inhibición de la PTR1, lo cual es un excelente punto de partida para futuros estudios de optimización estructural de este tipo de compuestos.</p>

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
gold