Rational Design of Novel Potential p38α MAPK Inhibitors with Drug-like Properties Using Pharmacophore and Similarity-based Virtual Screening Procedures

Author(s): F. R. Pinsetta, C. A. Taft, C. H. T. P. Silva.

Journal Name:Current Bioactive Compounds

Volume 9 , Issue 1 , 2013


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

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Article Details

Year: 2013
Page: [3 - 13]
Pages: 11
DOI: 10.2174/1573407211309010002