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Items: 1 to 20 of 95

1.

Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.

Jumde VR, Mondal M, Gierse RM, Unver MY, Magari F, van Lier RCW, Heine A, Klebe G, Hirsch AKH.

ChemMedChem. 2018 Nov 6;13(21):2266-2270. doi: 10.1002/cmdc.201800446. Epub 2018 Oct 9.

2.

Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.

Mondal M, Radeva N, Fanlo-Virgós H, Otto S, Klebe G, Hirsch AK.

Angew Chem Int Ed Engl. 2016 Aug 1;55(32):9422-6. doi: 10.1002/anie.201603074. Epub 2016 Jul 12.

3.

Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.

Mondal M, Radeva N, Köster H, Park A, Potamitis C, Zervou M, Klebe G, Hirsch AK.

Angew Chem Int Ed Engl. 2014 Mar 17;53(12):3259-63. doi: 10.1002/anie.201309682. Epub 2014 Feb 14.

PMID:
24532096
4.

Structure-Based Optimization of Inhibitors of the Aspartic Protease Endothiapepsin.

Hartman AM, Mondal M, Radeva N, Klebe G, Hirsch AK.

Int J Mol Sci. 2015 Aug 14;16(8):19184-94. doi: 10.3390/ijms160819184.

5.

Fragment-Based Drug Design Facilitated by Protein-Templated Click Chemistry: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin.

Mondal M, Unver MY, Pal A, Bakker M, Berrier SP, Hirsch AK.

Chemistry. 2016 Oct 10;22(42):14826-14830. doi: 10.1002/chem.201603001. Epub 2016 Sep 7.

6.

The application of bioisosteres in drug design for novel drug discovery: focusing on acid protease inhibitors.

Hamada Y, Kiso Y.

Expert Opin Drug Discov. 2012 Oct;7(10):903-22. Epub 2012 Aug 8. Review.

PMID:
22873630
7.

Non-invasive 19F NMR analysis of a protein-templated N-acylhydrazone dynamic combinatorial library.

Ekström AG, Wang JT, Bella J, Campopiano DJ.

Org Biomol Chem. 2018 Nov 7;16(43):8144-8149. doi: 10.1039/c8ob01918e.

PMID:
30334559
8.

Target-directed Dynamic Combinatorial Chemistry: A Study on Potentials and Pitfalls as Exemplified on a Bacterial Target.

Frei P, Pang L, Silbermann M, Eriş D, Mühlethaler T, Schwardt O, Ernst B.

Chemistry. 2017 Aug 25;23(48):11570-11577. doi: 10.1002/chem.201701601. Epub 2017 Aug 4.

PMID:
28654733
9.

Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.

Kuhnert M, Köster H, Bartholomäus R, Park AY, Shahim A, Heine A, Steuber H, Klebe G, Diederich WE.

Angew Chem Int Ed Engl. 2015 Feb 23;54(9):2849-53. doi: 10.1002/anie.201411206. Epub 2015 Jan 28.

PMID:
25630461
10.

Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.

Huschmann FU, Linnik J, Sparta K, Ühlein M, Wang X, Metz A, Schiebel J, Heine A, Klebe G, Weiss MS, Mueller U.

Acta Crystallogr F Struct Biol Commun. 2016 May;72(Pt 5):346-55. doi: 10.1107/S2053230X16004623. Epub 2016 Apr 22.

11.

Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study.

Schiebel J, Radeva N, Krimmer SG, Wang X, Stieler M, Ehrmann FR, Fu K, Metz A, Huschmann FU, Weiss MS, Mueller U, Heine A, Klebe G.

ACS Chem Biol. 2016 Jun 17;11(6):1693-701. doi: 10.1021/acschembio.5b01034. Epub 2016 Apr 8.

PMID:
27028906
12.

Dynamic combinatorial chemistry: a tool to facilitate the identification of inhibitors for protein targets.

Mondal M, Hirsch AK.

Chem Soc Rev. 2015 Apr 21;44(8):2455-88. doi: 10.1039/c4cs00493k. Review.

PMID:
25706945
13.
14.
15.

Pyrazoles as non-classical bioisosteres in prolylcarboxypeptidase (PrCP) inhibitors.

Graham TH, Shu M, Verras A, Chen Q, Garcia-Calvo M, Li X, Lisnock J, Tong X, Tung EC, Wiltsie J, Hale JJ, Pinto S, Shen DM.

Bioorg Med Chem Lett. 2014 Apr 1;24(7):1657-60. doi: 10.1016/j.bmcl.2014.02.070. Epub 2014 Mar 6.

PMID:
24636945
16.

Experimental Active-Site Mapping by Fragments: Hot Spots Remote from the Catalytic Center of Endothiapepsin.

Radeva N, Krimmer SG, Stieler M, Fu K, Wang X, Ehrmann FR, Metz A, Huschmann FU, Weiss MS, Mueller U, Schiebel J, Heine A, Klebe G.

J Med Chem. 2016 Aug 25;59(16):7561-75. doi: 10.1021/acs.jmedchem.6b00645. Epub 2016 Aug 12.

PMID:
27463859
17.

N-acylhydrazones as versatile electrophiles for the synthesis of nitrogen-containing compounds.

Sugiura M, Kobayashi S.

Angew Chem Int Ed Engl. 2005 Aug 19;44(33):5176-86. Review.

PMID:
16059954
18.

Applying small molecule microarrays and resulting affinity probe cocktails for proteome profiling of mammalian cell lysates.

Shi H, Uttamchandani M, Yao SQ.

Chem Asian J. 2011 Oct 4;6(10):2803-15. doi: 10.1002/asia.201100523. Epub 2011 Sep 2.

PMID:
21898842
19.

Discovery of a Biologically Active Bromodomain Inhibitor by Target-Directed Dynamic Combinatorial Chemistry.

García P, Alonso VL, Serra E, Escalante AM, Furlan RLE.

ACS Med Chem Lett. 2018 Sep 11;9(10):1002-1006. doi: 10.1021/acsmedchemlett.8b00247. eCollection 2018 Oct 11.

PMID:
30344907
20.

Microwave-assisted synthesis and evaluation of acylhydrazones as potential inhibitors of bovine glutathione peroxidase.

Wilde F, Lemmerhirt H, Emmrich T, Bednarski PJ, Link A.

Mol Divers. 2014 May;18(2):307-22. doi: 10.1007/s11030-013-9501-7. Epub 2014 Jan 19.

PMID:
24443141

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