Kirchmair J - Search Results

1

Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.

Schuster D, Nashev LG, Kirchmair J, Laggner C, Wolber G, Langer T, Odermatt A. Schuster D, et al. Among authors: kirchmair j. J Med Chem. 2008 Jul 24;51(14):4188-99. doi: 10.1021/jm800054h. Epub 2008 Jun 6. J Med Chem. 2008. PMID: 18533708

2

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.

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

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

5

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

Kirchmair J, Wolber G, Laggner C, Langer T. Kirchmair J, et al. J Chem Inf Model. 2006 Jul-Aug;46(4):1848-61. doi: 10.1021/ci060084g. J Chem Inf Model. 2006. PMID: 16859316

6

Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Laggner C, Langer T. Kirchmair J, et al. J Chem Inf Model. 2007 Nov-Dec;47(6):2182-96. doi: 10.1021/ci700024q. Epub 2007 Oct 11. J Chem Inf Model. 2007. PMID: 17929799

7

Pharmacophore modeling and parallel screening for PPAR ligands.

Markt P, Schuster D, Kirchmair J, Laggner C, Langer T. Markt P, et al. Among authors: kirchmair j. J Comput Aided Mol Des. 2007 Oct-Nov;21(10-11):575-90. doi: 10.1007/s10822-007-9140-0. Epub 2007 Oct 25. J Comput Aided Mol Des. 2007. PMID: 17960326

8

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

Kirchmair J, Markt P, Distinto S, Wolber G, Langer T. Kirchmair J, et al. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):213-28. doi: 10.1007/s10822-007-9163-6. Epub 2008 Jan 15. J Comput Aided Mol Des. 2008. PMID: 18196462 Review.

9

Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein.

Rollinger JM, Steindl TM, Schuster D, Kirchmair J, Anrain K, Ellmerer EP, Langer T, Stuppner H, Wutzler P, Schmidtke M. Rollinger JM, et al. Among authors: kirchmair j. J Med Chem. 2008 Feb 28;51(4):842-51. doi: 10.1021/jm701494b. Epub 2008 Feb 5. J Med Chem. 2008. PMID: 18247552

10

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening.

Markt P, McGoohan C, Walker B, Kirchmair J, Feldmann C, De Martino G, Spitzer G, Distinto S, Schuster D, Wolber G, Laggner C, Langer T. Markt P, et al. Among authors: kirchmair j. J Chem Inf Model. 2008 Aug;48(8):1693-705. doi: 10.1021/ci800101j. Epub 2008 Jul 19. J Chem Inf Model. 2008. PMID: 18637674

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