Abstract
p38α MAPK, initially discovered as a target for inhibition of proinflammatory cytokines, has been linked to several CNS disorders in preclinical animal models of CNS diseases, including Alzheimer’s disease, Amyotrophic Lateral Sclerosis (ALS), cerebral ischemia and neuropathic pain. Here we describe pharmacophore and similarity-based virtual screenings of more than 18.3 million compounds based on correlation between the specific binding mode and activity of different types of p38α MAPK inhibitors and present novel potential p38α MAPK inhibitors.
Keywords: p38α MAPK, pharmacophore, inhibitors, rational drug design
Current Bioactive Compounds
Title:Rational Design of Novel Potential p38α MAPK Inhibitors with Drug-like Properties Using Pharmacophore and Similarity-based Virtual Screening Procedures
Volume: 9 Issue: 1
Author(s): F. R. Pinsetta, C. A. Taft and C. H. T. P. Silva
Affiliation:
Keywords: p38α MAPK, pharmacophore, inhibitors, rational drug design
Abstract: p38α MAPK, initially discovered as a target for inhibition of proinflammatory cytokines, has been linked to several CNS disorders in preclinical animal models of CNS diseases, including Alzheimer’s disease, Amyotrophic Lateral Sclerosis (ALS), cerebral ischemia and neuropathic pain. Here we describe pharmacophore and similarity-based virtual screenings of more than 18.3 million compounds based on correlation between the specific binding mode and activity of different types of p38α MAPK inhibitors and present novel potential p38α MAPK inhibitors.
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Cite this article as:
Pinsetta F. R., Taft C. A. and Silva C. H. T. P., Rational Design of Novel Potential p38α MAPK Inhibitors with Drug-like Properties Using Pharmacophore and Similarity-based Virtual Screening Procedures, Current Bioactive Compounds 2013; 9 (1) . https://dx.doi.org/10.2174/1573407211309010002
DOI https://dx.doi.org/10.2174/1573407211309010002 |
Print ISSN 1573-4072 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6646 |
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