Bajusz D - Search Results

1

Discovery of selective fragment-sized immunoproteasome inhibitors.

Kollár L, Gobec M, Szilágyi B, Proj M, Knez D, Ábrányi-Balogh P, Petri L, Imre T, Bajusz D, Ferenczy GG, Gobec S, Keserű GM, Sosič I. Kollár L, et al. Among authors: bajusz d. Eur J Med Chem. 2021 Jul 5;219:113455. doi: 10.1016/j.ejmech.2021.113455. Epub 2021 Apr 20. Eur J Med Chem. 2021. PMID: 33894528

2

Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.

Bajusz D, Ferenczy GG, Keserű GM. Bajusz D, et al. J Chem Inf Model. 2016 Jan 25;56(1):234-47. doi: 10.1021/acs.jcim.5b00634. Epub 2015 Dec 31. J Chem Inf Model. 2016. PMID: 26682735

3

Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitors.

Bajusz D, Ferenczy GG, Keserű GM. Bajusz D, et al. J Mol Graph Model. 2016 Nov;70:275-283. doi: 10.1016/j.jmgm.2016.10.014. Epub 2016 Oct 17. J Mol Graph Model. 2016. PMID: 27771575

4

Identification of 8-Hydroxyquinoline Derivatives Active Against Somatic V658F Mutant JAK1-Dependent Cells.

Kiss R, Bajusz D, Baskin R, Tóth K, Monostory K, Sayeski PP, Keserű GM. Kiss R, et al. Among authors: bajusz d. Arch Pharm (Weinheim). 2016 Dec;349(12):925-933. doi: 10.1002/ardp.201600246. Epub 2016 Nov 10. Arch Pharm (Weinheim). 2016. PMID: 27862215

5

Structure-based Virtual Screening Approaches in Kinase-directed Drug Discovery.

Bajusz D, Ferenczy GG, Keseru GM. Bajusz D, et al. Curr Top Med Chem. 2017;17(20):2235-2259. doi: 10.2174/1568026617666170224121313. Curr Top Med Chem. 2017. PMID: 28240180 Review.

6

Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors.

Orgován Z, Ferenczy GG, Steinbrecher T, Szilágyi B, Bajusz D, Keserű GM. Orgován Z, et al. Among authors: bajusz d. J Comput Aided Mol Des. 2018 Feb;32(2):331-345. doi: 10.1007/s10822-018-0097-y. Epub 2018 Jan 15. J Comput Aided Mol Des. 2018. PMID: 29335871

7

DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders.

Rachman M, Scarpino A, Bajusz D, Pálfy G, Vida I, Perczel A, Barril X, Keserű GM. Rachman M, et al. Among authors: bajusz d. ChemMedChem. 2019 May 17;14(10):1011-1021. doi: 10.1002/cmdc.201900078. Epub 2019 Mar 8. ChemMedChem. 2019. PMID: 30786178 Free PMC article.

8

The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors.

Egyed A, Bajusz D, Keserű GM. Egyed A, et al. Among authors: bajusz d. Bioorg Med Chem. 2019 Apr 15;27(8):1497-1508. doi: 10.1016/j.bmc.2019.02.029. Epub 2019 Feb 16. Bioorg Med Chem. 2019. PMID: 30833158

9

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening.

Scarpino A, Bajusz D, Proj M, Gobec M, Sosič I, Gobec S, Ferenczy GG, Keserű GM. Scarpino A, et al. Among authors: bajusz d. Molecules. 2019 Jul 16;24(14):2590. doi: 10.3390/molecules24142590. Molecules. 2019. PMID: 31315311 Free PMC article.

10

Structural Implications of STAT3 and STAT5 SH2 Domain Mutations.

de Araujo ED, Orlova A, Neubauer HA, Bajusz D, Seo HS, Dhe-Paganon S, Keserű GM, Moriggl R, Gunning PT. de Araujo ED, et al. Among authors: bajusz d. Cancers (Basel). 2019 Nov 8;11(11):1757. doi: 10.3390/cancers11111757. Cancers (Basel). 2019. PMID: 31717342 Free PMC article. Review.

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