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

Glišić, Sanja; Senćanski, Milan V.; Perović, Vladimir R.; Stevanović, Strahinja; Garcia-Sosa, Alfonso T.

doi:10.3390/molecules21050589

2016

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Аутори

Glišić, Sanja

Senćanski, Milan V.

Perović, Vladimir R.

Stevanović, Strahinja

Garcia-Sosa, Alfonso T.

Чланак у часопису (Објављена верзија)

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Апстракт

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.

Кључне речи:

Leishmania / arginase / flavonoid / in silico / screen / anti-target / leishmaniasis / natural products / pregnane-X-receptor / sulfotransferase / cytochrome P450

Извор:
Molecules, 2016, 21, 5, 589-

Финансирање / пројекти:

Примена EIIP/ISM биоинформатичке платформе у откривању нових терапеутских таргета и потенцијалних терапеутских молекула (RS-MESTD-Basic Research (BR or ON)-173001)
Estonian Ministry for Education and Research [IUT34-14]
COST Action [CM1307]

DOI: 10.3390/molecules21050589

ISSN: 1420-3049

PubMed: 27164067

WoS: 000380241600053

Scopus: 2-s2.0-84973657639

[ Google Scholar ]


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URI

https://vinar.vin.bg.ac.rs/handle/123456789/1187

Колекције

Институција/група

Vinča

TY  - JOUR
AU  - Glišić, Sanja
AU  - Senćanski, Milan V.
AU  - Perović, Vladimir R.
AU  - Stevanović, Strahinja
AU  - Garcia-Sosa, Alfonso T.
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1187
AB  - 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.
T2  - Molecules
T1  - Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets
VL  - 21
IS  - 5
SP  - 589
DO  - 10.3390/molecules21050589
ER  -

@article{
author = "Glišić, Sanja and Senćanski, Milan V. and Perović, Vladimir R. and Stevanović, Strahinja and Garcia-Sosa, Alfonso T.",
year = "2016",
abstract = "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.",
journal = "Molecules",
title = "Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets",
volume = "21",
number = "5",
pages = "589",
doi = "10.3390/molecules21050589"
}

Glišić, S., Senćanski, M. V., Perović, V. R., Stevanović, S.,& Garcia-Sosa, A. T.. (2016). Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets. in Molecules, 21(5), 589.
https://doi.org/10.3390/molecules21050589

Glišić S, Senćanski MV, Perović VR, Stevanović S, Garcia-Sosa AT. Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets. in Molecules. 2016;21(5):589.
doi:10.3390/molecules21050589 .

Glišić, Sanja, Senćanski, Milan V., Perović, Vladimir R., Stevanović, Strahinja, Garcia-Sosa, Alfonso T., "Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets" in Molecules, 21, no. 5 (2016):589,
https://doi.org/10.3390/molecules21050589 . .