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Pharmacophore-Based Comparative Molecular Similarity Indices Analysis of CRTh2 Antagonists
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  • Journal title : Journal of the Chosun Natural Science
  • Volume 8, Issue 4,  2015, pp.273-284
  • Publisher : The Research Institute of Chosun Natural Science
  • DOI : 10.13160/ricns.2015.8.4.273
 Title & Authors
Pharmacophore-Based Comparative Molecular Similarity Indices Analysis of CRTh2 Antagonists
Babu, Sathya;
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Chemoattractant Receptor Homologous molecule expressed on Th2 cells (CRTh2) is a chemoattractant receptor with seven transmembrane helices targeted for inflammatory diseases such as asthma and allergic rhinitis. In this study, pharmacophore based Comparative Molecular Similarity Indices Analysis (CoMSIA) were performed on the series of 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Initially, GASP module was used for generation of pharmacophore models using five highly active compounds from the dataset. Among the generated pharmacophores, the best pharmacophore model was selected based on fitness score and was used as template for the alignment of compounds which was used for CoMSIA analysis. The best predictions were obtained utilizing steric, hydrophobic and H-bond acceptor parameters showing a
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