Abstract
The Histamine H4 receptor is expressed mainly on eosinophils and mast cells and has been shown to be involved in the chemotaxis of both the cell types. The receptor is also implicated in the release of IL-16, from CD8+ T cells. This data indicate that the receptor may play a role in inflammatory process. Herein we describe 3D QSAR studies of non-imidazole Indolylpiperazines using GFA and Free Wilson Analysis. For the GRA model, thirteen molecules were used as training set and three as test set to evaluate the external predictability of the equations generated using GFA [r2 = 0.650 and r2pred = 0.807]. The results indicate that electronic and thermodynamic parameters are major contributors to the activity. The same set of molecules was analyzed using the Free-Wilson analysis and a good correlation was obtained [r2 = 0.988].
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Pimple, S., Kelkar, M., Pednekar, D. et al. STUDIES ON NOVEL NON-IMIDAZOLE HUMAN H4 RECEPTOR ANTAGONISTS USING GFA AND FREE-WILSON ANALYSIS. Med Chem Res 13, 619–630 (2004). https://doi.org/10.1007/s00044-004-0106-7
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DOI: https://doi.org/10.1007/s00044-004-0106-7