Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51

Sebastian W. Draxler(Boehringer Ingelheim (Germany)), Dennis Fiegen(Boehringer Ingelheim (Germany)), Daniel Seeliger(Boehringer Ingelheim (Germany)), Herbert Nar(Boehringer Ingelheim (Germany)), Simon Nadal(Boehringer Ingelheim (Germany)), Daniel Rangel Rojas(Boehringer Ingelheim (Germany)), Markus Zeeb(Boehringer Ingelheim (Germany)), Margit Bauer(Boehringer Ingelheim (Germany)), Christian Eickmeier(Boehringer Ingelheim (Germany))
Journal of Medicinal Chemistry
May 18, 2020
10.1021/acs.jmedchem.0c00120
Cited by 18

Related Papers

A specific antidote for dabigatran: functional and structural characterization
|Blood|2013|562
Crystal structure analysis of oxidized Pseudomonas aeruginosa azurin at pH 5·5 and pH 9·0
|Journal of Molecular Biology|1991|487
Structure-Based Design of Novel Potent Nonpeptide Thrombin Inhibitors
|Journal of Medicinal Chemistry|2002|454
Biophysics in drug discovery: impact, challenges and opportunities
|Nature Reviews Drug Discovery|2016|383
8-(3-(<i>R</i>)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes
|Journal of Medicinal Chemistry|2007|285