TY  - JOUR
AU  - Popović-Djordjević, Jelena
AU  - Došen-Mićović, Ljiljana I.
AU  - Juranić, Ivan O.
AU  - Drakulić, Branko J.
PY  - 2010
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/2335
AB  - Alignment-free, three dimensional structure-activity relationships (3D QSAR) of the antiproliferative potency of twenty-two glutarimide-containing compounds, taken from National Cancer Institute Developmental therapeutics Program database, toward eight representative human tumour cell lines are reported. The descriptors used in the QSAR study were derived from GRID molecular interaction fields. The obtained models readily detect structural motifs positively or negatively correlated with the potency of the studied compounds toward each cell line. In this way, the pharmacophoric pattern required for high potency of compounds is reported. This pattern can serve as guidance for the design and syntheses of novel congeners, planned to be tested toward human tumour cell lines.
AB  - U tekstu je opisan odnos strukture i antiproliferativne aktivnosti 22 glutarimidna derivata prema osam reprezentativnih linija humanih tumora. Podaci o strukturi jedinjenja i njihovoj aktivnosti su preuzeti iz baze podataka Nacionalnog Instituta za rak, SAD. Deskriptori, nezavisni od poravnavanja molekula (GRIND-2), korišćeni u proučavanju odnosa strukture i aktivnosti su dobijeni upotrebom programa GRID. Modeli jasno prikazuju strukturne elemente jedinjenja koji se pozitivno ili negativno korelišu sa biološkom aktivnošću. Farmakoforna slika dobijena iz modela će biti korišćena za planiranje novih analoga koji sadrže glutarimidni prsten i za koje se očekuje da će pokazati značajnu antiproliferativnu aktivnost.
PB  - Srpsko hemijsko društvo, Beograd
T2  - JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
T1  - Antiproliferative activity of NCI-DTP glutarimide derivatives: An alignment independent 3D QSAR study
T1  - Antiproliferativna aktivnost glutarimidnih derivata iz baze podataka Nacionalnog instituta za rak, SAD - 3D odnos strukture i aktivnosti nezavisan od poravnavanja molekula
EP  - 1179
IS  - 9
SP  - 1167
VL  - 75
DO  - 10.2298/JSC091202076P
ER  - 

@article{
author = "Popović-Djordjević, Jelena and Došen-Mićović, Ljiljana I. and Juranić, Ivan O. and Drakulić, Branko J.",
year = "2010",
abstract = "Alignment-free, three dimensional structure-activity relationships (3D QSAR) of the antiproliferative potency of twenty-two glutarimide-containing compounds, taken from National Cancer Institute Developmental therapeutics Program database, toward eight representative human tumour cell lines are reported. The descriptors used in the QSAR study were derived from GRID molecular interaction fields. The obtained models readily detect structural motifs positively or negatively correlated with the potency of the studied compounds toward each cell line. In this way, the pharmacophoric pattern required for high potency of compounds is reported. This pattern can serve as guidance for the design and syntheses of novel congeners, planned to be tested toward human tumour cell lines., U tekstu je opisan odnos strukture i antiproliferativne aktivnosti 22 glutarimidna derivata prema osam reprezentativnih linija humanih tumora. Podaci o strukturi jedinjenja i njihovoj aktivnosti su preuzeti iz baze podataka Nacionalnog Instituta za rak, SAD. Deskriptori, nezavisni od poravnavanja molekula (GRIND-2), korišćeni u proučavanju odnosa strukture i aktivnosti su dobijeni upotrebom programa GRID. Modeli jasno prikazuju strukturne elemente jedinjenja koji se pozitivno ili negativno korelišu sa biološkom aktivnošću. Farmakoforna slika dobijena iz modela će biti korišćena za planiranje novih analoga koji sadrže glutarimidni prsten i za koje se očekuje da će pokazati značajnu antiproliferativnu aktivnost.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "JOURNAL OF THE SERBIAN CHEMICAL SOCIETY",
title = "Antiproliferative activity of NCI-DTP glutarimide derivatives: An alignment independent 3D QSAR study, Antiproliferativna aktivnost glutarimidnih derivata iz baze podataka Nacionalnog instituta za rak, SAD - 3D odnos strukture i aktivnosti nezavisan od poravnavanja molekula",
pages = "1179-1167",
number = "9",
volume = "75",
doi = "10.2298/JSC091202076P"
}

Popović-Djordjević, J., Došen-Mićović, L. I., Juranić, I. O.,& Drakulić, B. J.. (2010). Antiproliferative activity of NCI-DTP glutarimide derivatives: An alignment independent 3D QSAR study. in JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
Srpsko hemijsko društvo, Beograd., 75(9), 1167-1179.
https://doi.org/10.2298/JSC091202076P

Popović-Djordjević J, Došen-Mićović LI, Juranić IO, Drakulić BJ. Antiproliferative activity of NCI-DTP glutarimide derivatives: An alignment independent 3D QSAR study. in JOURNAL OF THE SERBIAN CHEMICAL SOCIETY. 2010;75(9):1167-1179.
doi:10.2298/JSC091202076P .

Popović-Djordjević, Jelena, Došen-Mićović, Ljiljana I., Juranić, Ivan O., Drakulić, Branko J., "Antiproliferative activity of NCI-DTP glutarimide derivatives: An alignment independent 3D QSAR study" in JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 75, no. 9 (2010):1167-1179,
https://doi.org/10.2298/JSC091202076P . .