Abstract
The method of structure-based pharmacophores for use in 3D-QSAR as implemented by Gillner and Greenidge (6) is further examined. Conformational models are generated using both Catalyst (3) and Macromodel (7). K i estimates obtained with the pharmacophore models are compared with observed values for a set of 4-aminopyridine thrombin inhibitors (8).
Keywords: Pharmacophore Generation, Aminopyridine Thrombin Inhibitors, Hydrogen bond donors, Born based, 1UVT crystal structure, atomic van der Waals radii
Mini-Reviews in Medicinal Chemistry
Title: A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR Application to a Set of 4-Aminopyridine Thrombin Inhibitors
Volume: 1 Issue: 1
Author(s): P. A. Greenidge and J. Weiser
Affiliation:
Keywords: Pharmacophore Generation, Aminopyridine Thrombin Inhibitors, Hydrogen bond donors, Born based, 1UVT crystal structure, atomic van der Waals radii
Abstract: The method of structure-based pharmacophores for use in 3D-QSAR as implemented by Gillner and Greenidge (6) is further examined. Conformational models are generated using both Catalyst (3) and Macromodel (7). K i estimates obtained with the pharmacophore models are compared with observed values for a set of 4-aminopyridine thrombin inhibitors (8).
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Cite this article as:
Greenidge A. P. and Weiser J., A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR Application to a Set of 4-Aminopyridine Thrombin Inhibitors, Mini-Reviews in Medicinal Chemistry 2001; 1 (1) . https://dx.doi.org/10.2174/1389557013407223
DOI https://dx.doi.org/10.2174/1389557013407223 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
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