Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets

Autor:	Sanja Glisic, Milan Sencanski, Vladimir Perovic, Strahinja Stevanovic, Alfonso T. García-Sosa
Jazyk:	angličtina
Rok vydání:	2016
Předmět:	Leishmania arginase flavonoid in silico screen anti-target leishmaniasis natural products pregnane-X-receptor sulfotransferase cytochrome P450 Organic chemistry QD241-441
Zdroj:	Molecules, Vol 21, Iss 5, p 589 (2016)
Druh dokumentu:	article
ISSN:	1420-3049 21050589
DOI:	10.3390/molecules21050589
Popis:	Arginase, a drug target for the treatment of leishmaniasis, is involved in the biosynthesis of polyamines. Flavonoids are interesting natural compounds found in many foods and some of them may inhibit this enzyme. The MetIDB database containing 5667 compounds was screened using an EIIP/AQVN filter and 3D QSAR to find the most promising candidate compounds. In addition, these top hits were screened in silico versus human arginase and an anti-target battery consisting of cytochromes P450 2a6, 2c9, 3a4, sulfotransferase, and the pregnane-X-receptor in order to flag their possible interactions with these proteins involved in the metabolism of substances. The resulting compounds may have promise to be further developed for the treatment of leishmaniasis.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/82dfdeb56a3e4e9286549002fe414cc5 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF