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QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B
OBJECTIVES: Insulin resistance is associated with a defect in protein tyrosine phosphorylation in the insulin signal transduction cascade. The PTPase enzyme dephosphorylates the active form of the insulin receptor and thus attenuates its tyrosine kinase activity, therefore, the need for a potent PTP...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Medknow Publications Pvt Ltd
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3146088/ https://www.ncbi.nlm.nih.gov/pubmed/21814427 http://dx.doi.org/10.4103/0975-7406.62703 |
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author | Kaushik, D. Kumar, R. Saxena, A. K. |
author_facet | Kaushik, D. Kumar, R. Saxena, A. K. |
author_sort | Kaushik, D. |
collection | PubMed |
description | OBJECTIVES: Insulin resistance is associated with a defect in protein tyrosine phosphorylation in the insulin signal transduction cascade. The PTPase enzyme dephosphorylates the active form of the insulin receptor and thus attenuates its tyrosine kinase activity, therefore, the need for a potent PTPase inhibitor exists, with the intention of which the QSAR was performed. MATERIALS AND METHODS: Quantitative structure-activity relationship (QSAR) has been established on a series of 106 compounds considering 27 variables, for novel biphenyl analogs, using the SYSTAT (Version 7.0) software, for their protein tyrosine phosphatase (PTPase-1B) inhibitor activity, in order to understand the essential structural requirement for binding with the receptor. RESULTS: Among several regression models, one per series was selected on the basis of a high correlation coefficient (r, 0.86), least standard deviation (s, 0.234), and a high value of significance for the maximum number of subjects (n, 101). CONCLUSIONS: The influence of the different physicochemical parameters of the substituents in various positions has been discussed by generating the best QSAR model using multiple regression analysis, and the information thus obtained from the present study can be used to design and predict more potent molecules as PTPase-1B inhibitors, prior to their synthesis. |
format | Online Article Text |
id | pubmed-3146088 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | Medknow Publications Pvt Ltd |
record_format | MEDLINE/PubMed |
spelling | pubmed-31460882011-08-03 QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B Kaushik, D. Kumar, R. Saxena, A. K. J Pharm Bioallied Sci Original Article OBJECTIVES: Insulin resistance is associated with a defect in protein tyrosine phosphorylation in the insulin signal transduction cascade. The PTPase enzyme dephosphorylates the active form of the insulin receptor and thus attenuates its tyrosine kinase activity, therefore, the need for a potent PTPase inhibitor exists, with the intention of which the QSAR was performed. MATERIALS AND METHODS: Quantitative structure-activity relationship (QSAR) has been established on a series of 106 compounds considering 27 variables, for novel biphenyl analogs, using the SYSTAT (Version 7.0) software, for their protein tyrosine phosphatase (PTPase-1B) inhibitor activity, in order to understand the essential structural requirement for binding with the receptor. RESULTS: Among several regression models, one per series was selected on the basis of a high correlation coefficient (r, 0.86), least standard deviation (s, 0.234), and a high value of significance for the maximum number of subjects (n, 101). CONCLUSIONS: The influence of the different physicochemical parameters of the substituents in various positions has been discussed by generating the best QSAR model using multiple regression analysis, and the information thus obtained from the present study can be used to design and predict more potent molecules as PTPase-1B inhibitors, prior to their synthesis. Medknow Publications Pvt Ltd 2010 /pmc/articles/PMC3146088/ /pubmed/21814427 http://dx.doi.org/10.4103/0975-7406.62703 Text en Copyright: © Journal of Pharmacy and Bioallied Sciences http://creativecommons.org/licenses/by-nc-sa/3.0 This is an open-access article distributed under the terms of the Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Original Article Kaushik, D. Kumar, R. Saxena, A. K. QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title | QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title_full | QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title_fullStr | QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title_full_unstemmed | QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title_short | QSAR studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of PTPase-1B |
title_sort | qsar studies of benzofuran/benzothiophene biphenyl derivatives as inhibitors of ptpase-1b |
topic | Original Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3146088/ https://www.ncbi.nlm.nih.gov/pubmed/21814427 http://dx.doi.org/10.4103/0975-7406.62703 |
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