TY  - JOUR
AU  - Vučićević, Jelica
AU  - Popović, Marija
AU  - Nikolić, Katarina
AU  - Filipić, Slavica
AU  - Obradović, Darija
AU  - Agbaba, Danica
PY  - 2017
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2900
AB  - For this study, 31 compounds, including 16 imidazoline/alpha-adrenergic receptor (IRs/alpha-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (k) obtained using biopartitioning micellar and classical reversed phase chromatography (log k (BMC) and log k (wRP), respectively). Based on the retention factor (log k(wRP)) and slope of the linear curve (S) the isocratic parameter ((sic)(0)) was calculated. Obtained retention factors were correlated with experimental log BB values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (r(log k(BMC) /log BB): 0.77), while for RP-HPLC system the correlations were lower (r(log k(wRP) /log BB): 0.58; r(S/log BB): -0.50; r((sic)(0) /P-e): 0.61). Based on the log k(BMC) retention data and calculated molecular parameters of the examined compounds, quantitative structure-permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/alpha-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood-brain barrier penetration of the related compounds.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Saudi Pharmaceutical Journal
T1  - Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of alpha-adrenergic/imidazoline receptor ligands, and QSPR analysis
VL  - 28
IS  - 3
SP  - 235
EP  - 252
DO  - 10.1080/1062936X.2017.1302506
ER  - 

@article{
author = "Vučićević, Jelica and Popović, Marija and Nikolić, Katarina and Filipić, Slavica and Obradović, Darija and Agbaba, Danica",
year = "2017",
abstract = "For this study, 31 compounds, including 16 imidazoline/alpha-adrenergic receptor (IRs/alpha-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (k) obtained using biopartitioning micellar and classical reversed phase chromatography (log k (BMC) and log k (wRP), respectively). Based on the retention factor (log k(wRP)) and slope of the linear curve (S) the isocratic parameter ((sic)(0)) was calculated. Obtained retention factors were correlated with experimental log BB values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (r(log k(BMC) /log BB): 0.77), while for RP-HPLC system the correlations were lower (r(log k(wRP) /log BB): 0.58; r(S/log BB): -0.50; r((sic)(0) /P-e): 0.61). Based on the log k(BMC) retention data and calculated molecular parameters of the examined compounds, quantitative structure-permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/alpha-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood-brain barrier penetration of the related compounds.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Saudi Pharmaceutical Journal",
title = "Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of alpha-adrenergic/imidazoline receptor ligands, and QSPR analysis",
volume = "28",
number = "3",
pages = "235-252",
doi = "10.1080/1062936X.2017.1302506"
}

Vučićević, J., Popović, M., Nikolić, K., Filipić, S., Obradović, D.,& Agbaba, D.. (2017). Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of alpha-adrenergic/imidazoline receptor ligands, and QSPR analysis. in Saudi Pharmaceutical Journal
Taylor & Francis Ltd, Abingdon., 28(3), 235-252.
https://doi.org/10.1080/1062936X.2017.1302506

Vučićević J, Popović M, Nikolić K, Filipić S, Obradović D, Agbaba D. Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of alpha-adrenergic/imidazoline receptor ligands, and QSPR analysis. in Saudi Pharmaceutical Journal. 2017;28(3):235-252.
doi:10.1080/1062936X.2017.1302506 .

Vučićević, Jelica, Popović, Marija, Nikolić, Katarina, Filipić, Slavica, Obradović, Darija, Agbaba, Danica, "Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of alpha-adrenergic/imidazoline receptor ligands, and QSPR analysis" in Saudi Pharmaceutical Journal, 28, no. 3 (2017):235-252,
https://doi.org/10.1080/1062936X.2017.1302506 . .

TY  - JOUR
AU  - Butini, Stefania
AU  - Nikolić, Katarina
AU  - Kassel, S.
AU  - Brueckmann, H.
AU  - Filipić, Slavica
AU  - Agbaba, Danica
AU  - Gemma, S.
AU  - Brogi, S.
AU  - Brindisi, M.
AU  - Campiani, G.
AU  - Stark, Holger
PY  - 2016
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2738
AB  - Most neurological diseases have a multifactorial nature and the number of molecular mechanisms discovered as underpinning these diseases is continuously evolving. The old concept of developing selective agents for a single target does not fit with the medical need of most neurological diseases. The development of designed multiple ligands holds great promises and appears as the next step in drug development for the treatment of these multifactorial diseases. Dopamine and its five receptor subtypes are intimately involved in numerous neurological disorders. Dopamine receptor ligands display a high degree of cross interactions with many other targets including G-protein coupled receptors, transporters, enzymes and ion channels. For brain disorders like Parkinson's disease, schizophrenia and depression the dopaminergic system, being intertwined with many other signaling systems, plays a key role in pathogenesis and therapy. The concept of designed multiple ligands and polypharmacology, which perfectly meets the therapeutic needs for these brain disorders, is herein discussed as a general ligand-based concept while focusing on dopaminergic agents and receptor subtypes in particular.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Progress in Neurobiology
T1  - Polypharmacology of dopamine receptor ligands
VL  - 142
SP  - 68
EP  - 103
DO  - 10.1016/j.pneurobio.2016.03.011
ER  - 

@article{
author = "Butini, Stefania and Nikolić, Katarina and Kassel, S. and Brueckmann, H. and Filipić, Slavica and Agbaba, Danica and Gemma, S. and Brogi, S. and Brindisi, M. and Campiani, G. and Stark, Holger",
year = "2016",
abstract = "Most neurological diseases have a multifactorial nature and the number of molecular mechanisms discovered as underpinning these diseases is continuously evolving. The old concept of developing selective agents for a single target does not fit with the medical need of most neurological diseases. The development of designed multiple ligands holds great promises and appears as the next step in drug development for the treatment of these multifactorial diseases. Dopamine and its five receptor subtypes are intimately involved in numerous neurological disorders. Dopamine receptor ligands display a high degree of cross interactions with many other targets including G-protein coupled receptors, transporters, enzymes and ion channels. For brain disorders like Parkinson's disease, schizophrenia and depression the dopaminergic system, being intertwined with many other signaling systems, plays a key role in pathogenesis and therapy. The concept of designed multiple ligands and polypharmacology, which perfectly meets the therapeutic needs for these brain disorders, is herein discussed as a general ligand-based concept while focusing on dopaminergic agents and receptor subtypes in particular.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Progress in Neurobiology",
title = "Polypharmacology of dopamine receptor ligands",
volume = "142",
pages = "68-103",
doi = "10.1016/j.pneurobio.2016.03.011"
}

Butini, S., Nikolić, K., Kassel, S., Brueckmann, H., Filipić, S., Agbaba, D., Gemma, S., Brogi, S., Brindisi, M., Campiani, G.,& Stark, H.. (2016). Polypharmacology of dopamine receptor ligands. in Progress in Neurobiology
Pergamon-Elsevier Science Ltd, Oxford., 142, 68-103.
https://doi.org/10.1016/j.pneurobio.2016.03.011

Butini S, Nikolić K, Kassel S, Brueckmann H, Filipić S, Agbaba D, Gemma S, Brogi S, Brindisi M, Campiani G, Stark H. Polypharmacology of dopamine receptor ligands. in Progress in Neurobiology. 2016;142:68-103.
doi:10.1016/j.pneurobio.2016.03.011 .

Butini, Stefania, Nikolić, Katarina, Kassel, S., Brueckmann, H., Filipić, Slavica, Agbaba, Danica, Gemma, S., Brogi, S., Brindisi, M., Campiani, G., Stark, Holger, "Polypharmacology of dopamine receptor ligands" in Progress in Neurobiology, 142 (2016):68-103,
https://doi.org/10.1016/j.pneurobio.2016.03.011 . .

TY  - JOUR
AU  - Khanfar, Mohammad A.
AU  - Affini, Anna
AU  - Lutsenko, Kiril
AU  - Nikolić, Katarina
AU  - Butini, Stefania
AU  - Stark, Holger
PY  - 2016
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2547
AB  - With the very recent market approval of pitolisant (Wakix (R)), the interest in clinical applications of novel multifunctional histamine H-3 receptor antagonists has clearly increased. Since histamine H-3 receptor antagonists in clinical development have been tested for a variety of different indications, the combination of pharmacological properties in one molecule for improved pharmacological effects and reduced unwanted side-effects is rationally based on the increasing knowledge on the complex neurotransmitter regulations. The polypharmacological approaches on histamine H-3 receptor antagonists on different G-protein coupled receptors, transporters, enzymes as well as on NO-signaling mechanism are described, supported with some lead structures.
PB  - Frontiers Media Sa, Lausanne
T2  - Frontiers in Neuroscience
T1  - Multiple Targeting Approaches on Histamine H-3 Receptor Antagonists
VL  - 10
DO  - 10.3389/fnins.2016.00201
ER  - 

@article{
author = "Khanfar, Mohammad A. and Affini, Anna and Lutsenko, Kiril and Nikolić, Katarina and Butini, Stefania and Stark, Holger",
year = "2016",
abstract = "With the very recent market approval of pitolisant (Wakix (R)), the interest in clinical applications of novel multifunctional histamine H-3 receptor antagonists has clearly increased. Since histamine H-3 receptor antagonists in clinical development have been tested for a variety of different indications, the combination of pharmacological properties in one molecule for improved pharmacological effects and reduced unwanted side-effects is rationally based on the increasing knowledge on the complex neurotransmitter regulations. The polypharmacological approaches on histamine H-3 receptor antagonists on different G-protein coupled receptors, transporters, enzymes as well as on NO-signaling mechanism are described, supported with some lead structures.",
publisher = "Frontiers Media Sa, Lausanne",
journal = "Frontiers in Neuroscience",
title = "Multiple Targeting Approaches on Histamine H-3 Receptor Antagonists",
volume = "10",
doi = "10.3389/fnins.2016.00201"
}

Khanfar, M. A., Affini, A., Lutsenko, K., Nikolić, K., Butini, S.,& Stark, H.. (2016). Multiple Targeting Approaches on Histamine H-3 Receptor Antagonists. in Frontiers in Neuroscience
Frontiers Media Sa, Lausanne., 10.
https://doi.org/10.3389/fnins.2016.00201

Khanfar MA, Affini A, Lutsenko K, Nikolić K, Butini S, Stark H. Multiple Targeting Approaches on Histamine H-3 Receptor Antagonists. in Frontiers in Neuroscience. 2016;10.
doi:10.3389/fnins.2016.00201 .

Khanfar, Mohammad A., Affini, Anna, Lutsenko, Kiril, Nikolić, Katarina, Butini, Stefania, Stark, Holger, "Multiple Targeting Approaches on Histamine H-3 Receptor Antagonists" in Frontiers in Neuroscience, 10 (2016),
https://doi.org/10.3389/fnins.2016.00201 . .