Einzelansicht Kirchmair

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Univ.-Prof. Mag. Dr. Johannes Kirchmair

T: +43-1-4277-55104

johannes.kirchmair@univie.ac.at

https://comp3d.univie.ac.at

Winter term 2025

262005 VO Introduction to Computational Biology and Drug Discovery

262006 UE Introduction to Computational Biology and Drug Discovery - Exercises

301817 VO MPM 7 - Lecture course: Model systems in precision medicine - in the context of signature diseases

321004 VO Physik und Informatik für PharmazeutInnen - B3

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323005 VO Preclinical Drug Development - MPS4

323009 PR Lab Rotation I - MPS8

323010 PR Lab Rotation II - MPS8

323011 SE Proposal Writing - MPS9 - (2 Courses)

580008 SE SE Journal Club : Molecular Informatics

580009 SE SE Lecture Series Pharma and Food

Summer term 2025

301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design

321029 VO Pharmazeutische Chemie 2 - B15

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323007 UE Experimental Methods in Drug Discovery und Preclinical Drug Development - MPS6 - (2 Courses)

323101 VU Pharmacoinformatics - MPS5

323102 VU Pharmacoinformatics Practical Course - MPS5

580006 SE Pharma Lectures

580009 SE Journal Club : Molecular Informatics

Winter term 2024

262005 VO Introduction to Computational Biology and Drug Discovery

262006 UE Introduction to Computational Biology and Drug Discovery - Exercises

301817 VO MPM 7 - Lecture course: Model systems in precision medicine - in the context of signature diseases

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323009 PR Lab Rotation I - MPS8

323010 PR Lab Rotation II - MPS8

323011 SE Proposal Writing - MPS9 - (2 Courses)

580008 SE SE Journal Club : Molecular Informatics

580009 SE SE Lecture Series Pharma and Food

Xuan S, Wang M, Kang H, Kirchmair J, Tan L, Yan A. Support Vector Machine (SVM) Models for Predicting Inhibitors of the 3 ' Processing Step of HIV-1 Integrase. Molecular Informatics. 2013;32(9-10):811-826. doi: 10.1002/minf.201300107

Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A et al. Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms. Journal of Chemical Information and Modeling. 2012;52(3):617–648. doi: 10.1021/ci200542m

Santos-Sierra S, Kirchmair J, Perna A, Reiss D, Kemter K, Roeschinger W et al. DISCOVERY OF NOVEL PHARMACOLOGICAL CHAPERONES FOR PKU THAT CORRECT PHENYLKETONURIA IN VIVO. Journal of Inherited Metabolic Disease. 2012;35(S1):S3.

Distinto S, Esposito F, Kirchmair J, Cardia MC, Gaspari M, Maccioni E et al. Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach. European Journal of Medicinal Chemistry. 2012;50:216-229. doi: 10.1016/j.ejmech.2012.01.056

Santos-Sierra S, Kirchmair J, Perna AM, Reiss D, Kemter K, Roeschinger W et al. Novel pharmacological chaperones that correct phenylketonuria in mice. Human Molecular Genetics. 2012;21(8):1877–1887. doi: 10.1093/hmg/dds001

Distinto S, Yanez M, Alcaro S, Cardia MC, Gaspari M, Sanna ML et al. Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B. European Journal of Medicinal Chemistry. 2012;48:284-295. doi: 10.1016/j.ejmech.2011.12.027

Gleeson MP, Modi S, Bender A, Robinson RLM, Kirchmair J, Promkatkaew M et al. The Challenges Involved in Modeling Toxicity Data In Silico: A Review. Current Pharmaceutical Design. 2012;18(9):1266-1291. doi: 10.2174/138161212799436359

Schuster D, Kowalik D, Kirchmair J, Laggner C, Markt P, Aebischer-Gumy C et al. Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening. The Journal of Steroid Biochemistry and Molecular Biology. 2011 May;125(1-2):148-161. doi: 10.1016/j.jsbmb.2011.01.016

Kirchmair J, Spitzer GM, Liedl KR. Consideration of Water and Solvation Effects in Virtual Screening. In Virtual Screening: Principles, Challenges, and Practical Guidelines. Weinheim: Wiley - V C H. 2011. p. 263-289. (Methods and Principles in Medicinal Chemistry, Vol. 48).

Kirchmair J, Distinto S, Liedl KR, Markt P, Rollinger JM, Schuster D et al. Development of anti-viral agents using molecular modeling and virtual screening techniques. Infectious Disorders, Drug Targets. 2011;11(1):64-93. doi: 10.2174/187152611794407782

Maenz B, Goetz V, Wunderlich K, Eisel J, Kirchmair J, Stech J et al. Disruption of the Viral Polymerase Complex Assembly as a Novel Approach to Attenuate Influenza A Virus. Journal of Biological Chemistry. 2011;286(10):8414-8424. doi: 10.1074/jbc.M110.205534

Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S et al. From in silico target prediction to multi-target drug design: Current databases, methods and applications. Journal of Proteomics. 2011;74(12):2554-2574. doi: 10.1016/j.jprot.2011.05.011

Rechfeld F, Gruber P, Hofmann J, Kirchmair J. Modulators of Protein-Protein Interactions - Novel Approaches in Targeting Protein Kinases and Other Pharmaceutically Relevant Biomolecules. Current Topics in Medicinal Chemistry. 2011;11(11):1305-1319. doi: 10.2174/156802611795589610

Kirchmair J , Rollinger JM, Liedl KR, Seidel N, Krumbholz A, Schmidtke M. Novel neuraminidase inhibitors: Identification, biological evaluation and investigations of the binding mode. Future Medicinal Chemistry. 2011;3(4):437-450. doi: 10.4155/fmc.10.292

Schuster D, Spetea M, Music M, Rief S, Fink M, Kirchmair J et al. Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors. Bioorganic & Medicinal Chemistry. 2010 Jul 15;18(14):5071-5080. doi: 10.1016/j.bmc.2010.05.071

Chimenti F, Secci D, Bolasco A, Chimenti P, Granese A, Carradori S et al. Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. Bioorganic & Medicinal Chemistry. 2010 Jul 15;18(14):5063-5070. doi: 10.1016/j.bmc.2010.05.070

Schuster D, Kern L, Hristozov DP, Terfloth L, Bienfait B, Laggner C et al. Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors. Combinatorial Chemistry & High Throughput Screening. 2010 Jan;13(1):54-66. doi: 10.2174/138620710790218212

Spitzer GM, Heiss M, Mangold M, Mark P, Kirchmair J, Wolber G et al. One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space. Journal of Chemical Information and Modeling. 2010;50(7):1241–1247. doi: 10.1021/ci100136b

Schuster D, Waltenberger B, Kirchmair J, Distinto S, Markt P, Stuppner H et al. Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part I: Model generation, validation and applicability in ethnopharmacology. Molecular Informatics. 2010;29(1-2):75-86. doi: 10.1002/minf.200900071

Spitzer GM, Wellenzohn B, Markt P, Kirchmair J , Langer T, Liedl KR. Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds. Journal of Chemical Information and Modeling. 2009 Apr;49(4):1063-1069. doi: 10.1021/ci800455f