Kirchmair J - Search Results

1

How do metabolites differ from their parent molecules and how are they excreted?

Kirchmair J, Howlett A, Peironcely JE, Murrell DS, Williamson MJ, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC. Kirchmair J, et al. J Chem Inf Model. 2013 Feb 25;53(2):354-67. doi: 10.1021/ci300487z. Epub 2013 Jan 25. J Chem Inf Model. 2013. PMID: 23351040

2

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.

3

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.

4

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.

5

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.

6

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.

7

From in silico target prediction to multi-target drug design: current databases, methods and applications.

Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S, Young MP, Jenkins JL, Glick M, Glen RC, Bender A. Koutsoukas A, et al. Among authors: kirchmair j. J Proteomics. 2011 Nov 18;74(12):2554-74. doi: 10.1016/j.jprot.2011.05.011. Epub 2011 May 18. J Proteomics. 2011. PMID: 21621023 Review.

8

The challenges involved in modeling toxicity data in silico: a review.

Gleeson MP, Modi S, Bender A, Robinson RL, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RC. Gleeson MP, et al. Among authors: kirchmair j. Curr Pharm Des. 2012;18(9):1266-91. doi: 10.2174/138161212799436359. Curr Pharm Des. 2012. PMID: 22316153 Review.

9

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.

Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A, Glen RC. Kirchmair J, et al. J Chem Inf Model. 2012 Mar 26;52(3):617-48. doi: 10.1021/ci200542m. Epub 2012 Feb 17. J Chem Inf Model. 2012. PMID: 22339582 Free PMC article. Review.

10

Anti-cancer drug development: computational strategies to identify and target proteins involved in cancer metabolism.

Mak L, Liggi S, Tan L, Kusonmano K, Rollinger JM, Koutsoukas A, Glen RC, Kirchmair J. Mak L, et al. Among authors: kirchmair j. Curr Pharm Des. 2013;19(4):532-77. Curr Pharm Des. 2013. PMID: 23016852 Review.

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