Ecker GF - Search Results

1

GRAIL: GRids of phArmacophore Interaction fieLds.

Schuetz DA, Seidel T, Garon A, Martini R, Körbel M, Ecker GF, Langer T. Schuetz DA, et al. Among authors: ecker gf. J Chem Theory Comput. 2018 Sep 11;14(9):4958-4970. doi: 10.1021/acs.jctc.8b00495. Epub 2018 Aug 20. J Chem Theory Comput. 2018. PMID: 30075621

2

In silico screening with benzofurane- and benzopyrane-type MDR-modulators.

Rebitzer S, Annibali D, Kopp S, Eder M, Langer T, Chiba P, Ecker GF, Noe CR. Rebitzer S, et al. Among authors: ecker gf. Farmaco. 2003 Mar;58(3):185-91. doi: 10.1016/S0014-827X(03)00021-1. Farmaco. 2003. PMID: 12620414

3

Lead identification for modulators of multidrug resistance based on in silico screening with a pharmacophoric feature model.

Langer T, Eder M, Hoffmann RD, Chiba P, Ecker GF. Langer T, et al. Among authors: ecker gf. Arch Pharm (Weinheim). 2004 Jun;337(6):317-27. doi: 10.1002/ardp.200300817. Arch Pharm (Weinheim). 2004. PMID: 15188221

4

A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes.

Sase A, Aher YD, Saroja SR, Ganesan MK, Sase S, Holy M, Höger H, Bakulev V, Ecker GF, Langer T, Sitte HH, Leban J, Lubec G. Sase A, et al. Among authors: ecker gf. Neuropharmacology. 2016 Mar;102:186-96. doi: 10.1016/j.neuropharm.2015.07.039. Epub 2015 Sep 25. Neuropharmacology. 2016. PMID: 26407764

5

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.

Schuetz DA, de Witte WEA, Wong YC, Knasmueller B, Richter L, Kokh DB, Sadiq SK, Bosma R, Nederpelt I, Heitman LH, Segala E, Amaral M, Guo D, Andres D, Georgi V, Stoddart LA, Hill S, Cooke RM, De Graaf C, Leurs R, Frech M, Wade RC, de Lange ECM, IJzerman AP, Müller-Fahrnow A, Ecker GF. Schuetz DA, et al. Among authors: ecker gf. Drug Discov Today. 2017 Jun;22(6):896-911. doi: 10.1016/j.drudis.2017.02.002. Epub 2017 Apr 13. Drug Discov Today. 2017. PMID: 28412474 Review.

6

Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.

Schuetz DA, Richter L, Amaral M, Grandits M, Grädler U, Musil D, Buchstaller HP, Eggenweiler HM, Frech M, Ecker GF. Schuetz DA, et al. Among authors: ecker gf. J Med Chem. 2018 May 24;61(10):4397-4411. doi: 10.1021/acs.jmedchem.8b00080. Epub 2018 May 10. J Med Chem. 2018. PMID: 29701469

7

SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site.

Siebert DCB, Wieder M, Schlener L, Scholze P, Boresch S, Langer T, Schnürch M, Mihovilovic MD, Richter L, Ernst M, Ecker GF. Siebert DCB, et al. Among authors: ecker gf. J Chem Inf Model. 2018 Aug 27;58(8):1682-1696. doi: 10.1021/acs.jcim.8b00199. Epub 2018 Aug 8. J Chem Inf Model. 2018. PMID: 30028134

8

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics.

Schuetz DA, Bernetti M, Bertazzo M, Musil D, Eggenweiler HM, Recanatini M, Masetti M, Ecker GF, Cavalli A. Schuetz DA, et al. Among authors: ecker gf. J Chem Inf Model. 2019 Jan 28;59(1):535-549. doi: 10.1021/acs.jcim.8b00614. Epub 2018 Dec 13. J Chem Inf Model. 2019. PMID: 30500211

9

Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods.

Singh N, Scalise M, Galluccio M, Wieder M, Seidel T, Langer T, Indiveri C, Ecker GF. Singh N, et al. Among authors: ecker gf. Int J Mol Sci. 2018 Dec 21;20(1):27. doi: 10.3390/ijms20010027. Int J Mol Sci. 2018. PMID: 30577601 Free PMC article.

10

Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models.

Colas C, Banci G, Martini R, Ecker GF. Colas C, et al. Among authors: ecker gf. Sci Rep. 2020 Apr 10;10(1):6241. doi: 10.1038/s41598-020-63189-z. Sci Rep. 2020. PMID: 32277128 Free PMC article.

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