Journal of Proteomics & Bioinformatics
Open Access
ISSN: 0974-276X
ISSN: 0974-276X
Neelakantan Suresh
GVK Biosciences Pvt. Ltd.,
37, Sterling Road, Nungambakkam, Chennai 600034, T.N.
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