A quantitative structure-activity relationship study with respect to selectivity for alpha(1) adrenoreceptor subtypes (alpha(1a), alpha(1b) and alpha(1d)) of a wide series of structurally heterogeneous alpha(1) adrenoreceptor antagonists has been performed. A large variety of molecular descriptors have been calculated and then analyzed by a heuristic method. The orthogonalization of the descriptors has been applied to build the QSAR equations. Ad hoc defined shape descriptors calculated by the Connolly algorithm with respect to reference supermolecules have also been considered in the rationalization of the mechanism of the activity of the ligands acting as antagonists on all three subtypes of alpha(1) adrenoreceptors.
TY - JOUR
AU - Erić, Slavica
AU - Solmajer, Tom
AU - Zupan, Janja
AU - Nović, M
AU - Oblak, M
AU - Agbaba, Danica
PY - 2004
UR - http://farfar.pharmacy.bg.ac.rs/handle/123456789/495
AB - A quantitative structure-activity relationship study with respect to selectivity for alpha(1) adrenoreceptor subtypes (alpha(1a), alpha(1b) and alpha(1d)) of a wide series of structurally heterogeneous alpha(1) adrenoreceptor antagonists has been performed. A large variety of molecular descriptors have been calculated and then analyzed by a heuristic method. The orthogonalization of the descriptors has been applied to build the QSAR equations. Ad hoc defined shape descriptors calculated by the Connolly algorithm with respect to reference supermolecules have also been considered in the rationalization of the mechanism of the activity of the ligands acting as antagonists on all three subtypes of alpha(1) adrenoreceptors.
PB - Springer-Verlag, New York
T2 - Journal of Molecular Modeling
T1 - Quantitative structure-activity relationships of alpha(1) adrenergic antagonists
VL - 10
IS - 2
SP - 139
EP - 150
DO - 10.1007/s00894-003-0177-2
UR - conv_1527
ER -
@article{
author = "Erić, Slavica and Solmajer, Tom and Zupan, Janja and Nović, M and Oblak, M and Agbaba, Danica",
year = "2004",
abstract = "A quantitative structure-activity relationship study with respect to selectivity for alpha(1) adrenoreceptor subtypes (alpha(1a), alpha(1b) and alpha(1d)) of a wide series of structurally heterogeneous alpha(1) adrenoreceptor antagonists has been performed. A large variety of molecular descriptors have been calculated and then analyzed by a heuristic method. The orthogonalization of the descriptors has been applied to build the QSAR equations. Ad hoc defined shape descriptors calculated by the Connolly algorithm with respect to reference supermolecules have also been considered in the rationalization of the mechanism of the activity of the ligands acting as antagonists on all three subtypes of alpha(1) adrenoreceptors.",
publisher = "Springer-Verlag, New York",
journal = "Journal of Molecular Modeling",
title = "Quantitative structure-activity relationships of alpha(1) adrenergic antagonists",
volume = "10",
number = "2",
pages = "139-150",
doi = "10.1007/s00894-003-0177-2",
url = "conv_1527"
}
Erić, S., Solmajer, T., Zupan, J., Nović, M., Oblak, M.,& Agbaba, D.. (2004). Quantitative structure-activity relationships of alpha(1) adrenergic antagonists. in Journal of Molecular Modeling
Springer-Verlag, New York., 10(2), 139-150.
https://doi.org/10.1007/s00894-003-0177-2
conv_1527
Erić S, Solmajer T, Zupan J, Nović M, Oblak M, Agbaba D. Quantitative structure-activity relationships of alpha(1) adrenergic antagonists. in Journal of Molecular Modeling. 2004;10(2):139-150.
doi:10.1007/s00894-003-0177-2
conv_1527 .
Erić, Slavica, Solmajer, Tom, Zupan, Janja, Nović, M, Oblak, M, Agbaba, Danica, "Quantitative structure-activity relationships of alpha(1) adrenergic antagonists" in Journal of Molecular Modeling, 10, no. 2 (2004):139-150,
https://doi.org/10.1007/s00894-003-0177-2 .,
conv_1527 .
