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

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.

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