Gohlke H - Search Results

1

3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor.

Gohlke H, Schwarz S, Gündisch D, Tilotta MC, Weber A, Wegge T, Seitz G. Gohlke H, et al. J Med Chem. 2003 May 22;46(11):2031-48. doi: 10.1021/jm020859m. J Med Chem. 2003. PMID: 12747776

2

Synthesis and nicotinic binding studies on enantiopure diazine analogues of the novel (2-chloro-5-pyridyl)-9-azabicyclo[4.2.1]non-2-ene UB-165.

Gohlke H, Gündisch D, Schwarz S, Seitz G, Tilotta MC, Wegge T. Gohlke H, et al. J Med Chem. 2002 Feb 28;45(5):1064-72. doi: 10.1021/jm010936y. J Med Chem. 2002. PMID: 11855986

3

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors.

Gohlke H, Klebe G. Gohlke H, et al. Angew Chem Int Ed Engl. 2002 Aug 2;41(15):2644-76. doi: 10.1002/1521-3773(20020802)41:15<2644::AID-ANIE2644>3.0.CO;2-O. Angew Chem Int Ed Engl. 2002. PMID: 12203463 Review.

4

DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein.

Gohlke H, Klebe G. Gohlke H, et al. J Med Chem. 2002 Sep 12;45(19):4153-70. doi: 10.1021/jm020808p. J Med Chem. 2002. PMID: 12213058

5

Improving binding mode predictions by docking into protein-specifically adapted potential fields.

Radestock S, Böhm M, Gohlke H. Radestock S, et al. Among authors: gohlke h. J Med Chem. 2005 Aug 25;48(17):5466-79. doi: 10.1021/jm050114r. J Med Chem. 2005. PMID: 16107145

6

DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction.

Velec HF, Gohlke H, Klebe G. Velec HF, et al. Among authors: gohlke h. J Med Chem. 2005 Oct 6;48(20):6296-303. doi: 10.1021/jm050436v. J Med Chem. 2005. PMID: 16190756

7

Targeting protein-protein interactions with small molecules: challenges and perspectives for computational binding epitope detection and ligand finding.

González-Ruiz D, Gohlke H. González-Ruiz D, et al. Among authors: gohlke h. Curr Med Chem. 2006;13(22):2607-25. doi: 10.2174/092986706778201530. Curr Med Chem. 2006. PMID: 17017914 Review.

8

Mutational mapping of the transmembrane binding site of the G-protein coupled receptor TGR5 and binding mode prediction of TGR5 agonists.

Gertzen CG, Spomer L, Smits SH, Häussinger D, Keitel V, Gohlke H. Gertzen CG, et al. Among authors: gohlke h. Eur J Med Chem. 2015 Nov 2;104:57-72. doi: 10.1016/j.ejmech.2015.09.024. Epub 2015 Sep 24. Eur J Med Chem. 2015. PMID: 26435512

9

Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators.

Dixit VA, Rathi PC, Bhagat S, Gohlke H, Petersen RK, Kristiansen K, Chakraborti AK, Bharatam PV. Dixit VA, et al. Among authors: gohlke h. Eur J Med Chem. 2016 Jan 27;108:423-435. doi: 10.1016/j.ejmech.2015.11.030. Epub 2015 Nov 23. Eur J Med Chem. 2016. PMID: 26708109

10

Design, Multicomponent Synthesis, and Anticancer Activity of a Focused Histone Deacetylase (HDAC) Inhibitor Library with Peptoid-Based Cap Groups.

Krieger V, Hamacher A, Gertzen CGW, Senger J, Zwinderman MRH, Marek M, Romier C, Dekker FJ, Kurz T, Jung M, Gohlke H, Kassack MU, Hansen FK. Krieger V, et al. Among authors: gohlke h. J Med Chem. 2017 Jul 13;60(13):5493-5506. doi: 10.1021/acs.jmedchem.7b00197. Epub 2017 Jun 16. J Med Chem. 2017. PMID: 28574690

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