Scaffold Hopping by “Fuzzy” Pharmacophores and its Application to RNA Targets

Abstract

Don't look sharp, look fuzzy. A technique for “fuzzy” pharmacophore screening is presented. Two prospective applications with RNA targets were performed: virtual screening for inhibitors of the Tat-TAR RNA interaction and in vitro protein expression. The hits contain alternative scaffolds and were found through a fuzzy pharmacophore model (see figure) of ligand binding poses. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2268/2007/z700195_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.