Ertl P - Search Results

1

Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products.

Prescher H, Koch G, Schuhmann T, Ertl P, Bussenault A, Glick M, Dix I, Petersen F, Lizos DE. Prescher H, et al. Among authors: ertl p. Bioorg Med Chem. 2017 Feb 1;25(3):921-925. doi: 10.1016/j.bmc.2016.12.005. Epub 2016 Dec 8. Bioorg Med Chem. 2017. PMID: 28011199

2

Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.

Ertl P, Rohde B, Selzer P. Ertl P, et al. J Med Chem. 2000 Oct 5;43(20):3714-7. doi: 10.1021/jm000942e. J Med Chem. 2000. PMID: 11020286

3

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds.

Ertl P, Jelfs S, Mühlbacher J, Schuffenhauer A, Selzer P. Ertl P, et al. J Med Chem. 2006 Jul 27;49(15):4568-73. doi: 10.1021/jm060217p. J Med Chem. 2006. PMID: 16854061

4

Natural product-likeness score and its application for prioritization of compound libraries.

Ertl P, Roggo S, Schuffenhauer A. Ertl P, et al. J Chem Inf Model. 2008 Jan;48(1):68-74. doi: 10.1021/ci700286x. Epub 2007 Nov 23. J Chem Inf Model. 2008. PMID: 18034468

5

Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data.

Varin T, Schuffenhauer A, Ertl P, Renner S. Varin T, et al. Among authors: ertl p. J Chem Inf Model. 2011 Jul 25;51(7):1528-38. doi: 10.1021/ci2000924. Epub 2011 Jun 15. J Chem Inf Model. 2011. PMID: 21615076

6

Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping.

Ertl P. Ertl P. Bioorg Med Chem. 2012 Sep 15;20(18):5436-42. doi: 10.1016/j.bmc.2012.02.058. Epub 2012 Mar 3. Bioorg Med Chem. 2012. PMID: 22436390

7

Discovery of 1H-pyrrolo[2,3-c]pyridine-7-carboxamides as novel, allosteric mGluR5 antagonists.

Koller M, Carcache DA, Orain D, Ertl P, Behnke D, Desrayaud S, Laue G, Vranesic I. Koller M, et al. Among authors: ertl p. Bioorg Med Chem Lett. 2012 Oct 15;22(20):6454-9. doi: 10.1016/j.bmcl.2012.08.053. Epub 2012 Aug 21. Bioorg Med Chem Lett. 2012. PMID: 22963764

8

Natural product drug delivery: A special challenge?

Press NJ, Joly E, Ertl P. Press NJ, et al. Among authors: ertl p. Prog Med Chem. 2019;58:157-187. doi: 10.1016/bs.pmch.2019.01.001. Epub 2019 Mar 1. Prog Med Chem. 2019. PMID: 30879474

9

A Systematic Cheminformatics Analysis of Functional Groups Occurring in Natural Products.

Ertl P, Schuhmann T. Ertl P, et al. J Nat Prod. 2019 May 24;82(5):1258-1263. doi: 10.1021/acs.jnatprod.8b01022. Epub 2019 Apr 1. J Nat Prod. 2019. PMID: 30933507

10

Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria.

Ertl P, Schuhmann T. Ertl P, et al. Mol Inform. 2020 Nov;39(11):e2000017. doi: 10.1002/minf.202000017. Epub 2020 Mar 23. Mol Inform. 2020. PMID: 32203642

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