TY  - JOUR
AU  - Đikić, Teodora
AU  - Vučićević, Jelica
AU  - Laurila, Jonne
AU  - Radi, Marco
AU  - Veljković, Nevena V.
AU  - Xhaard, Henri
AU  - Nikolić, Katarina M.
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8887
AB  - Based on the finding that a central antihypertensive agent with high affinity for I1-type imidazoline receptors – rilmenidine, shows cytotoxic effects on cultured cancer cell lines, it has been suggested that imidazoline receptors agonists might have a therapeutic potential in the cancer therapy. Nevertheless, potential rilmenidine side effects caused by activation of α-adrenoceptors, or other associated receptors and enzymes, might hinder its therapeutic benefits. Considering that human α-adrenoceptors belong to the rhodopsin-like class A of G-protein-coupled receptors (GPCRs) it is reasonable to assume that imidazolines might have the affinity for other receptors from the same class. Therefore, to investigate possible off-target effects of imidazoline ligands we have prepared a reverse docking protocol on class A GPCRs, using imidazoline ligands and their decoys. To verify our in silico results, three ligands with high scores and three ligands with low scores were tested for antagonistic activity on α2- adrenoceptors.
T2  - Molecular Informatics
T1  - Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field
VL  - 39
IS  - 7
SP  - 1900165
DO  - 10.1002/minf.201900165
ER  - 

@article{
author = "Đikić, Teodora and Vučićević, Jelica and Laurila, Jonne and Radi, Marco and Veljković, Nevena V. and Xhaard, Henri and Nikolić, Katarina M.",
year = "2020",
abstract = "Based on the finding that a central antihypertensive agent with high affinity for I1-type imidazoline receptors – rilmenidine, shows cytotoxic effects on cultured cancer cell lines, it has been suggested that imidazoline receptors agonists might have a therapeutic potential in the cancer therapy. Nevertheless, potential rilmenidine side effects caused by activation of α-adrenoceptors, or other associated receptors and enzymes, might hinder its therapeutic benefits. Considering that human α-adrenoceptors belong to the rhodopsin-like class A of G-protein-coupled receptors (GPCRs) it is reasonable to assume that imidazolines might have the affinity for other receptors from the same class. Therefore, to investigate possible off-target effects of imidazoline ligands we have prepared a reverse docking protocol on class A GPCRs, using imidazoline ligands and their decoys. To verify our in silico results, three ligands with high scores and three ligands with low scores were tested for antagonistic activity on α2- adrenoceptors.",
journal = "Molecular Informatics",
title = "Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field",
volume = "39",
number = "7",
pages = "1900165",
doi = "10.1002/minf.201900165"
}

Đikić, T., Vučićević, J., Laurila, J., Radi, M., Veljković, N. V., Xhaard, H.,& Nikolić, K. M.. (2020). Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field. in Molecular Informatics, 39(7), 1900165.
https://doi.org/10.1002/minf.201900165

Đikić T, Vučićević J, Laurila J, Radi M, Veljković NV, Xhaard H, Nikolić KM. Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field. in Molecular Informatics. 2020;39(7):1900165.
doi:10.1002/minf.201900165 .

Đikić, Teodora, Vučićević, Jelica, Laurila, Jonne, Radi, Marco, Veljković, Nevena V., Xhaard, Henri, Nikolić, Katarina M., "Deciphering Imidazoline Off‐targets by Fishing in the Class A of GPCR field" in Molecular Informatics, 39, no. 7 (2020):1900165,
https://doi.org/10.1002/minf.201900165 . .