@article{
author = "Smajić, Miralem and Nikolić, Katarina and Vujić, Zorica and Ahmetović, Lejla and Kuntić, Vesna",
year = "2016",
abstract = "A 3D-QSAR model using the GRIND/ALMOND descriptors has been performed on a set of 49 angiotensin receptor blockers, also known as angiotensin II receptor antagonists, a family of agents that bind to and inhibit the angiotensin II type 1 receptor. The most commonly used chemical probes: DRY (hydrophobic interaction), O (carbonyl oxygen sp(2), hydrogen bond donor), N1 (NH neutral, hydrogen bond acceptor) and TIP (shape descriptor molecular forms) were derived from the GRID molecular interaction fields. A statistical approach was undertaken using the method of partial least squares within the Pentacle program. The results show satisfactory accuracy of the prediction model (RMSEE = 0.239, R-2 = 0.94, Q(2) = 0.85). The V597 (DRY-TIP) and V763 (O-TIP) represent the most significant variables that correlate positively with the activity of the ARBs. Thirty novel structures of ARBs were designed, according to the developed 3D-QSAR model and pharmacophore, what might set the basis for development of new antihypertensive drugs.",
publisher = "Springer Birkhauser, New York",
journal = "Medicinal Chemistry Research",
title = "3D-QSAR studies and pharmacophore identification of AT(1) receptor antagonists",
volume = "25",
number = "1",
pages = "51-61",
doi = "10.1007/s00044-015-1470-1"
}