Kirchmair J - Search Results

1

One concept, three implementations of 3D pharmacophore-based virtual screening: distinct coverage of chemical search space.

Spitzer GM, Heiss M, Mangold M, Markt P, Kirchmair J, Wolber G, Liedl KR. Spitzer GM, et al. Among authors: kirchmair j. J Chem Inf Model. 2010 Jul 26;50(7):1241-7. doi: 10.1021/ci100136b. J Chem Inf Model. 2010. PMID: 20583761

2

Tackling assay interference associated with small molecules.

Tan L, Hirte S, Palmacci V, Stork C, Kirchmair J. Tan L, et al. Among authors: kirchmair j. Nat Rev Chem. 2024 May;8(5):319-339. doi: 10.1038/s41570-024-00593-3. Epub 2024 Apr 15. Nat Rev Chem. 2024. PMID: 38622244 Review.

3

Identification of Natural Products Inhibiting SARS-CoV-2 by Targeting Viral Proteases: A Combined in Silico and in Vitro Approach.

Wasilewicz A, Kirchweger B, Bojkova D, Abi Saad MJ, Langeder J, Bütikofer M, Adelsberger S, Grienke U, Cinatl J Jr, Petermann O, Scapozza L, Orts J, Kirchmair J, Rabenau HF, Rollinger JM. Wasilewicz A, et al. Among authors: kirchmair j. J Nat Prod. 2023 Feb 24;86(2):264-275. doi: 10.1021/acs.jnatprod.2c00843. Epub 2023 Jan 18. J Nat Prod. 2023. PMID: 36651644 Free PMC article.

4

Computational prediction of the metabolites of agrochemicals formed in rats.

Scholz VA, Stork C, Frericks M, Kirchmair J. Scholz VA, et al. Among authors: kirchmair j. Sci Total Environ. 2023 Oct 15;895:165039. doi: 10.1016/j.scitotenv.2023.165039. Epub 2023 Jun 22. Sci Total Environ. 2023. PMID: 37355108 Free article.

5

Discovery of N-quinazolinone-4-hydroxy-2-quinolone-3-carboxamides as DNA gyrase B-targeted antibacterial agents.

Xue W, Wang Y, Lian X, Li X, Pang J, Kirchmair J, Wu K, Han Z, You X, Zhang H, Xia J, Wu S. Xue W, et al. Among authors: kirchmair j. J Enzyme Inhib Med Chem. 2022 Dec;37(1):1620-1631. doi: 10.1080/14756366.2022.2084088. J Enzyme Inhib Med Chem. 2022. PMID: 36278813 Free PMC article.

6

Flindissone, a Limonoid Isolated from Trichilia prieuriana, Is an LXR Agonist.

Resetar M, Tietcheu Galani BR, Tsamo AT, Chen Y, Schachner D, Stolzlechner S, Mawouma Pagna JI, Beniddir MA, Kirchmair J, Dirsch VM. Resetar M, et al. Among authors: kirchmair j. J Nat Prod. 2023 Aug 25;86(8):1901-1909. doi: 10.1021/acs.jnatprod.3c00059. Epub 2023 Aug 1. J Nat Prod. 2023. PMID: 37526502 Free PMC article.

7

Structural Insights into the Ligand-LsrK Kinase Binding Mode: A Step Forward in the Discovery of Novel Antimicrobial Agents.

Listro R, Milli G, Pellegrini A, Motta C, Cavalloro V, Martino E, Kirchmair J, Pietrocola G, Rossi D, Linciano P, Collina S. Listro R, et al. Among authors: kirchmair j. Molecules. 2023 Mar 10;28(6):2542. doi: 10.3390/molecules28062542. Molecules. 2023. PMID: 36985513 Free PMC article.

8

Toxicity prediction using target, interactome, and pathway profiles as descriptors.

Füzi B, Mathai N, Kirchmair J, Ecker GF. Füzi B, et al. Among authors: kirchmair j. Toxicol Lett. 2023 May 15;381:20-26. doi: 10.1016/j.toxlet.2023.04.005. Epub 2023 Apr 13. Toxicol Lett. 2023. PMID: 37061207 Free article.

9

Epstein-Barr virus-driven B cell lymphoma mediated by a direct LMP1-TRAF6 complex.

Giehler F, Ostertag MS, Sommermann T, Weidl D, Sterz KR, Kutz H, Moosmann A, Feller SM, Geerlof A, Biesinger B, Popowicz GM, Kirchmair J, Kieser A. Giehler F, et al. Among authors: kirchmair j. Nat Commun. 2024 Jan 10;15(1):414. doi: 10.1038/s41467-023-44455-w. Nat Commun. 2024. PMID: 38195569 Free PMC article.

10

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

Kirchmair J, Laggner C, Wolber G, Langer T. Kirchmair J, et al. J Chem Inf Model. 2005 Mar-Apr;45(2):422-30. doi: 10.1021/ci049753l. J Chem Inf Model. 2005. PMID: 15807508

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