Premium
Scaffold Hopping by “Fuzzy” Pharmacophores and its Application to RNA Targets
Author(s) -
Tanrikulu Yusuf,
Nietert Manuel,
Scheffer Ute,
Proschak Ewgenij,
Grabowski Kristina,
Schneider Petra,
Weidlich Markus,
Karas Michael,
Göbel Michael,
Schneider Gisbert
Publication year - 2007
Publication title -
chembiochem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.05
H-Index - 126
eISSN - 1439-7633
pISSN - 1439-4227
DOI - 10.1002/cbic.200700195
Subject(s) - scaffold , pharmacophore , scaffold protein , computational biology , fuzzy logic , rna , chemistry , computer science , nanotechnology , combinatorial chemistry , biology , artificial intelligence , biochemistry , materials science , signal transduction , database , gene
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.