N. S. Vasanthi
India
Research Article
Pharmacophore Modeling and Virtual Screening Studies to Design Potential Protein Tyrosine Phosphatase 1B Inhibitors as New Leads
Author(s): Neelakantan Suresh and N. S. VasanthiNeelakantan Suresh and N. S. Vasanthi
Protein Tyrosine Phosphatase 1B (PTP-1B) is one of the important targets in the treatment of diabetes and obesity. They play a very important role in cellular signaling within and between cells. The best pharmacophore hypothesis (Hypo 1), consisting of four features, namely, one hydrogen- bond acceptor (HBA), one hydrophobic point (HY), and two ring aromatics (RA), has a correlation coefficient of 0.961, a root mean square deviation (RMSD) of 0.885, and a cost difference of 62.436, suggesting that a highly predictive pharmacophore model was successfully obtained. A chemical feature based pharmacophore model has been generated from known PTP-1B inhibitors (25 training set compounds) by HypoGen module implemented in CATALYST software. The top ranked hypothesis (Hypo1) contained four chemical feature types such as hydrogen-bond acceptor (HA), hydrophobic.. View More»
DOI: 10.4172/jpb.1000117
