Lerner C - Search Results

1

Machine learning-powered antibiotics phenotypic drug discovery.

Zoffmann S, Vercruysse M, Benmansour F, Maunz A, Wolf L, Blum Marti R, Heckel T, Ding H, Truong HH, Prummer M, Schmucki R, Mason CS, Bradley K, Jacob AI, Lerner C, Araujo Del Rosario A, Burcin M, Amrein KE, Prunotto M. Zoffmann S, et al. Among authors: lerner c. Sci Rep. 2019 Mar 21;9(1):5013. doi: 10.1038/s41598-019-39387-9. Sci Rep. 2019. PMID: 30899034 Free PMC article.

2

Safety screening in early drug discovery: An optimized assay panel.

Bendels S, Bissantz C, Fasching B, Gerebtzoff G, Guba W, Kansy M, Migeon J, Mohr S, Peters JU, Tillier F, Wyler R, Lerner C, Kramer C, Richter H, Roberts S. Bendels S, et al. Among authors: lerner c. J Pharmacol Toxicol Methods. 2019 Sep-Oct;99:106609. doi: 10.1016/j.vascn.2019.106609. Epub 2019 Jul 5. J Pharmacol Toxicol Methods. 2019. PMID: 31284073

3

Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.

Lerner C, Jakob-Roetne R, Buettelmann B, Ehler A, Rudolph M, Rodríguez Sarmiento RM. Lerner C, et al. J Med Chem. 2016 Nov 23;59(22):10163-10175. doi: 10.1021/acs.jmedchem.6b00927. Epub 2016 Oct 14. J Med Chem. 2016. PMID: 27685665

4

A Real-World Perspective on Molecular Design.

Kuhn B, Guba W, Hert J, Banner D, Bissantz C, Ceccarelli S, Haap W, Körner M, Kuglstatter A, Lerner C, Mattei P, Neidhart W, Pinard E, Rudolph MG, Schulz-Gasch T, Woltering T, Stahl M. Kuhn B, et al. Among authors: lerner c. J Med Chem. 2016 May 12;59(9):4087-102. doi: 10.1021/acs.jmedchem.5b01875. Epub 2016 Feb 24. J Med Chem. 2016. PMID: 26878596

5

Correction to Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.

Lerner C, Jakob-Roetne R, Buettelmann B, Ehler A, Rudolph MG, Rodríguez Sarmiento RM. Lerner C, et al. J Med Chem. 2017 May 11;60(9):4099. doi: 10.1021/acs.jmedchem.7b00613. Epub 2017 Apr 27. J Med Chem. 2017. PMID: 28448141 No abstract available.

6

Bisubstrate inhibitors for the enzyme catechol-O-methyltransferase (COMT): influence of inhibitor preorganisation and linker length between the two substrate moieties on binding affinity.

Lerner C, Masjost B, Ruf A, Gramlich V, Jakob-Roetne R, Zürcher G, Borroni E, Diederich F. Lerner C, et al. Org Biomol Chem. 2003 Jan 7;1(1):42-9. doi: 10.1039/b208690p. Org Biomol Chem. 2003. PMID: 12929389

7

Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.

Ellermann M, Jakob-Roetne R, Lerner C, Borroni E, Schlatter D, Roth D, Ehler A, Rudolph MG, Diederich F. Ellermann M, et al. Among authors: lerner c. Angew Chem Int Ed Engl. 2009;48(48):9092-6. doi: 10.1002/anie.200904410. Angew Chem Int Ed Engl. 2009. PMID: 19882607 No abstract available.

8

Molecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitors.

Ellermann M, Paulini R, Jakob-Roetne R, Lerner C, Borroni E, Roth D, Ehler A, Schweizer WB, Schlatter D, Rudolph MG, Diederich F. Ellermann M, et al. Among authors: lerner c. Chemistry. 2011 May 27;17(23):6369-81. doi: 10.1002/chem.201003648. Epub 2011 Apr 27. Chemistry. 2011. PMID: 21538606

9

Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.

Ellermann M, Lerner C, Burgy G, Ehler A, Bissantz C, Jakob-Roetne R, Paulini R, Allemann O, Tissot H, Grünstein D, Stihle M, Diederich F, Rudolph MG. Ellermann M, et al. Among authors: lerner c. Acta Crystallogr D Biol Crystallogr. 2012 Mar;68(Pt 3):253-60. doi: 10.1107/S0907444912001138. Epub 2012 Feb 14. Acta Crystallogr D Biol Crystallogr. 2012. PMID: 22349227

10

Bisubstrate inhibitors of catechol O-methyltransferase (COMT): the crucial role of the ribose structural unit for inhibitor binding affinity.

Paulini R, Trindler C, Lerner C, Brändli L, Schweizer WB, Jakob-Roetne R, Zürcher G, Borroni E, Diederich F. Paulini R, et al. Among authors: lerner c. ChemMedChem. 2006 Mar;1(3):340-57. doi: 10.1002/cmdc.200500065. ChemMedChem. 2006. PMID: 16892369

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