Literature DB >> 17896338

Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets.

Yusuf Tanrikulu1, Manuel Nietert, Ute Scheffer, Ewgenij Proschak, Kristina Grabowski, Petra Schneider, Markus Weidlich, Michael Karas, Michael Göbel, Gisbert Schneider.   

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Year:  2007        PMID： 17896338     DOI： 10.1002/cbic.200700195

Source DB:  PubMed          Journal:  Chembiochem        ISSN： 1439-4227            Impact factor:   3.164


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  11 in total

1.  Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR.

Authors:  Jayme L Dahlin; J Willem M Nissink; Subhashree Francis; Jessica M Strasser; Kristen John; Zhiguo Zhang; Michael A Walters
Journal:  Bioorg Med Chem Lett       Date:  2015-08-10       Impact factor: 2.823

2.  The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA.

Authors:  Andreas Schüller; Marcel Suhartono; Uli Fechner; Yusuf Tanrikulu; Sven Breitung; Ute Scheffer; Michael W Göbel; Gisbert Schneider
Journal:  J Comput Aided Mol Des       Date:  2007-12-07       Impact factor: 3.686

3.  Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning.

Authors:  Daniel Merk; Francesca Grisoni; Kay Schaller; Lukas Friedrich; Gisbert Schneider
Journal:  ChemistryOpen       Date:  2018-10-02       Impact factor: 2.911

4.  Molecular Scaffold Hopping via Holistic Molecular Representation.

Authors:  Francesca Grisoni; Gisbert Schneider
Journal:  Methods Mol Biol       Date:  2021

5.  Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design.

Authors:  Daniel Merk; Francesca Grisoni; Lukas Friedrich; Elena Gelzinyte; Gisbert Schneider
Journal:  Medchemcomm       Date:  2018-06-06       Impact factor: 3.597

6.  A Preliminary Assessment of the Structure-Activity Relationship of Benzimidazole-Based Anti-Proliferative Agents.

Authors:  Leyte L Winfield; Dayle M Smith; Kalani Halemano; Carmine S Leggett
Journal:  Lett Drug Des Discov       Date:  2008       Impact factor: 1.150

7.  Local neighborhood behavior in a combinatorial library context.

Authors:  Dragos Horvath; Christian Koch; Gisbert Schneider; Gilles Marcou; Alexandre Varnek
Journal:  J Comput Aided Mol Des       Date:  2011-02-12       Impact factor: 3.686

8.  Identification of UV-protective activators of nuclear factor erythroid-derived 2-related factor 2 (Nrf2) by combining a chemical library screen with computer-based virtual screening.

Authors:  Franziska Lieder; Felix Reisen; Tim Geppert; Gabriel Sollberger; Hans-Dietmar Beer; Ulrich auf dem Keller; Matthias Schäfer; Michael Detmar; Gisbert Schneider; Sabine Werner
Journal:  J Biol Chem       Date:  2012-07-31       Impact factor: 5.157

9.  Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epithelia.

Authors:  Martin Löwer; Tim Geppert; Petra Schneider; Benjamin Hoy; Silja Wessler; Gisbert Schneider
Journal:  PLoS One       Date:  2011-03-31       Impact factor: 3.240

10.  Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitors.

Authors:  Quan Wang; Kerstin Birod; Carlo Angioni; Sabine Grösch; Tim Geppert; Petra Schneider; Matthias Rupp; Gisbert Schneider
Journal:  PLoS One       Date:  2011-07-27       Impact factor: 3.240
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