Abstract
p38 mitogen-activated protein (MAP) kinases are the serine/threonine protein kinases, which play a vital role in cellular responses to external stress signals. p38 MAP kinase inhibitors have shown anti-inflammatory effects in the preclinical disease models, primarily through inhibition of the expression of inflammatory mediators. A number of structurally diverse p38 MAP kinase inhibitors have been developed as potential anti-inflammatory agents. Most of the inhibitors have failed in the clinical trials either due to poor pharmacokinetic profile or selectivity issue, which makes p38 MAP kinase a promising target for molecular modelling studies. Several quantitative structure activity relationships (QSAR) and pharmacophore models have been developed to identify the structural requirements essential for p38 MAP kinase inhibitory activity. In this review, we provide an overview of the presently known p38 MAP kinase inhibitors and how QSAR analyses among series of compounds have led to the development of molecular models and pharmacophores, allowing the design of novel inhibitors.
Keywords: CoMFA and CoMSIA, p38 MAP kinase, Pharmacophore modeling, QSAR, Virtual screening.
Current Topics in Medicinal Chemistry
Title:p38 Mitogen-Activated Protein Kinase Inhibitors: A Review on Pharmacophore Mapping and QSAR Studies
Volume: 13 Issue: 9
Author(s): Rahul P. Gangwal, Anuseema Bhadauriya, Mangesh V. Damre, Gaurao V. Dhoke and Abhay T. Sangamwar
Affiliation:
Keywords: CoMFA and CoMSIA, p38 MAP kinase, Pharmacophore modeling, QSAR, Virtual screening.
Abstract: p38 mitogen-activated protein (MAP) kinases are the serine/threonine protein kinases, which play a vital role in cellular responses to external stress signals. p38 MAP kinase inhibitors have shown anti-inflammatory effects in the preclinical disease models, primarily through inhibition of the expression of inflammatory mediators. A number of structurally diverse p38 MAP kinase inhibitors have been developed as potential anti-inflammatory agents. Most of the inhibitors have failed in the clinical trials either due to poor pharmacokinetic profile or selectivity issue, which makes p38 MAP kinase a promising target for molecular modelling studies. Several quantitative structure activity relationships (QSAR) and pharmacophore models have been developed to identify the structural requirements essential for p38 MAP kinase inhibitory activity. In this review, we provide an overview of the presently known p38 MAP kinase inhibitors and how QSAR analyses among series of compounds have led to the development of molecular models and pharmacophores, allowing the design of novel inhibitors.
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Cite this article as:
Gangwal Rahul P., Bhadauriya Anuseema, Damre Mangesh V., Dhoke Gaurao V. and Sangamwar Abhay T., p38 Mitogen-Activated Protein Kinase Inhibitors: A Review on Pharmacophore Mapping and QSAR Studies, Current Topics in Medicinal Chemistry 2013; 13 (9) . https://dx.doi.org/10.2174/1568026611313090005
DOI https://dx.doi.org/10.2174/1568026611313090005 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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