TY  - JOUR
AU  - Erić, Slavica
AU  - Ke, Song
AU  - Barata, Teresa
AU  - Solmajer, Tom
AU  - Antić-Stanković, Jelena
AU  - Juranić, Zorica
AU  - Savić, Vladimir
AU  - Zloh, Mire
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1727
AB  - A set of 16 previously synthesized aryl-aminopyridine and aryl-aminoquinoline derivatives have been evaluated for cytotoxic activity against three cancer cell lines (human cervical cancer-HeLa; human chronic myeloid leukemia-K562; human melanoma-Fem-x) and two types of normal peripheral blood mononuclear cells, with and without phytohemaglutinin (PBMC - PHA; PBMC + PHA). Twelve of the studied compounds showed moderate cytotoxicity, with selectivity against K562 but not the remaining two cancer cell lines. Four compounds were not active in cytotoxicity assays, presumably due to high predicted lipophilicity and low solubility. To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliographical references. The putative targets were identified on the basis of the best correlation between docking scores and in vitro cytotoxicity. It is proposed that the mechanism of action of the studied aminopyridines involves the disruption of signaling pathways and cancer cell cycle through the inhibition of cyclin-dependent kinases and several tyrosine kinases, namely Bcr-Abl kinase and KIT receptor kinase. The obtained results can guide further structural modifications of the studied compounds aimed at developing selective agents targeting proteins involved in cancer cell survival and proliferation.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Bioorganic & Medicinal Chemistry
T1  - Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity
VL  - 20
IS  - 17
SP  - 5220
EP  - 5228
DO  - 10.1016/j.bmc.2012.06.051
ER  - 

@article{
author = "Erić, Slavica and Ke, Song and Barata, Teresa and Solmajer, Tom and Antić-Stanković, Jelena and Juranić, Zorica and Savić, Vladimir and Zloh, Mire",
year = "2012",
abstract = "A set of 16 previously synthesized aryl-aminopyridine and aryl-aminoquinoline derivatives have been evaluated for cytotoxic activity against three cancer cell lines (human cervical cancer-HeLa; human chronic myeloid leukemia-K562; human melanoma-Fem-x) and two types of normal peripheral blood mononuclear cells, with and without phytohemaglutinin (PBMC - PHA; PBMC + PHA). Twelve of the studied compounds showed moderate cytotoxicity, with selectivity against K562 but not the remaining two cancer cell lines. Four compounds were not active in cytotoxicity assays, presumably due to high predicted lipophilicity and low solubility. To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliographical references. The putative targets were identified on the basis of the best correlation between docking scores and in vitro cytotoxicity. It is proposed that the mechanism of action of the studied aminopyridines involves the disruption of signaling pathways and cancer cell cycle through the inhibition of cyclin-dependent kinases and several tyrosine kinases, namely Bcr-Abl kinase and KIT receptor kinase. The obtained results can guide further structural modifications of the studied compounds aimed at developing selective agents targeting proteins involved in cancer cell survival and proliferation.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Bioorganic & Medicinal Chemistry",
title = "Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity",
volume = "20",
number = "17",
pages = "5220-5228",
doi = "10.1016/j.bmc.2012.06.051"
}

Erić, S., Ke, S., Barata, T., Solmajer, T., Antić-Stanković, J., Juranić, Z., Savić, V.,& Zloh, M.. (2012). Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity. in Bioorganic & Medicinal Chemistry
Pergamon-Elsevier Science Ltd, Oxford., 20(17), 5220-5228.
https://doi.org/10.1016/j.bmc.2012.06.051

Erić S, Ke S, Barata T, Solmajer T, Antić-Stanković J, Juranić Z, Savić V, Zloh M. Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity. in Bioorganic & Medicinal Chemistry. 2012;20(17):5220-5228.
doi:10.1016/j.bmc.2012.06.051 .

Erić, Slavica, Ke, Song, Barata, Teresa, Solmajer, Tom, Antić-Stanković, Jelena, Juranić, Zorica, Savić, Vladimir, Zloh, Mire, "Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity" in Bioorganic & Medicinal Chemistry, 20, no. 17 (2012):5220-5228,
https://doi.org/10.1016/j.bmc.2012.06.051 . .