Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets
2016
Authors
Glišić, SanjaSenćanski, Milan V.
Perović, Vladimir R.
Stevanović, Strahinja
Garcia-Sosa, Alfonso T.
Article (Published version)
Metadata
Show full item recordAbstract
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.
Keywords:
Leishmania / arginase / flavonoid / in silico / screen / anti-target / leishmaniasis / natural products / pregnane-X-receptor / sulfotransferase / cytochrome P450Source:
Molecules, 2016, 21, 5, 589-Funding / projects:
- Application of the EIIP/ISM bioinformatics platform in discovery of novel therapeutic targets and potential therapeutic molecules (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
WoS: 000380241600053
Scopus: 2-s2.0-84973657639
Institution/Community
VinčaTY - 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 . .