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

Tanrikulu Yusuf | Zendy; Nietert Manuel | Zendy; Scheffer Ute | Zendy; Proschak Ewgenij | Zendy; Grabowski Kristina | Zendy; Schneider Petra | Zendy; Weidlich Markus | Zendy; Karas Michael | Zendy; Göbel Michael | Zendy; Schneider Gisbert | Zendy

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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.

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