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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
chemistry
Discovery of new potent human protein tyrosine phosphatase inhibitors via pharmacophore and QSAR analysis followed by in silico screening
Journal of Molecular Graphics and Modelling, Volume 25, No. 6, Year 2007
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Description
A pharmacophoric model was developed for human protein tyrosine phosphatase 1B (h-PTP 1B) inhibitors utilizing the HipHop-REFINE module of CATALYST software. Subsequently, genetic algorithm and multiple linear regression analysis were employed to select an optimal combination of physicochemical descriptors and pharmacophore hypothesis that yield consistent QSAR equation of good predictive potential (r = 0.87, F -statistic = 69.13, rBS2 = 0.76, rLOO2 = 0.68). The validity of the QSAR equation and the associated pharmacophoric hypothesis was experimentally established by the identification of five new h-PTP 1B inhibitors retrieved from the National Cancer Institute (NCI) database. © 2006 Elsevier Inc. All rights reserved.
Authors & Co-Authors
Taha, Mutasem O.
Jordan, Amman
The University of Jordan
Bustanji, Yasser Khalil
Jordan, Amman
The University of Jordan
Al-Bakri, Amal G.
Jordan, Amman
The University of Jordan
Yousef, Al Motassem F.
Jordan, Amman
The University of Jordan
Zalloum, Waleed A.
Jordan, Amman
The University of Jordan
Al-Masri, Ihab Mustafa
Jordan, Amman
The University of Jordan
Atallah, Naji
Jordan, Amman
The University of Jordan
Statistics
Citations: 77
Authors: 7
Affiliations: 1
Identifiers
Doi:
10.1016/j.jmgm.2006.08.008
ISSN:
10933263
Research Areas
Cancer
Genetics And Genomics
Study Approach
Quantitative