Quantitative structure-activity relationships of alpha(1) adrenergic antagonists
Само за регистроване кориснике
2004
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
QSAR / alpha 1 adrenergic antagonists / molecular descriptorsИзвор:
Journal of Molecular Modeling, 2004, 10, 2, 139-150Издавач:
- Springer-Verlag, New York
DOI: 10.1007/s00894-003-0177-2
ISSN: 0948-5023
PubMed: 14997365
WoS: 000220564500007
Scopus: 2-s2.0-2542481766
Институција/група
PharmacyTY - JOUR AU - Erić, Slavica AU - Solmajer, Tom AU - Zupan, Janja AU - Nović, M AU - Oblak, M AU - Agbaba, Danica PY - 2004 UR - https://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 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" }
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
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 .
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 . .