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Items: 16

1.

Olanzapine: A potent agonist at the hM4D(Gi) DREADD amenable to clinical translation of chemogenetics.

Weston M, Kaserer T, Wu A, Mouravlev A, Carpenter JC, Snowball A, Knauss S, von Schimmelmann M, During MJ, Lignani G, Schorge S, Young D, Kullmann DM, Lieb A.

Sci Adv. 2019 Apr 17;5(4):eaaw1567. doi: 10.1126/sciadv.aaw1567. eCollection 2019 Apr.

2.

Identification of the fungicide epoxiconazole by virtual screening and biological assessment as inhibitor of human 11β-hydroxylase and aldosterone synthase.

Akram M, Patt M, Kaserer T, Temml V, Waratchareeyakul W, Kratschmar DV, Haupenthal J, Hartmann RW, Odermatt A, Schuster D.

J Steroid Biochem Mol Biol. 2019 Apr 6;192:105358. doi: 10.1016/j.jsbmb.2019.04.007. [Epub ahead of print]

PMID:
30965118
3.

De Novo Missense Substitutions in the Gene Encoding CDK8, a Regulator of the Mediator Complex, Cause a Syndromic Developmental Disorder.

Calpena E, Hervieu A, Kaserer T, Swagemakers SMA, Goos JAC, Popoola O, Ortiz-Ruiz MJ, Barbaro-Dieber T, Bownass L, Brilstra EH, Brimble E, Foulds N, Grebe TA, Harder AVE, Lees MM, Monaghan KG, Newbury-Ecob RA, Ong KR, Osio D, Reynoso Santos FJ, Ruzhnikov MRZ, Telegrafi A, van Binsbergen E, van Dooren MF; Deciphering Developmental Disorders Study, van der Spek PJ, Blagg J, Twigg SRF, Mathijssen IMJ, Clarke PA, Wilkie AOM.

Am J Hum Genet. 2019 Apr 4;104(4):709-720. doi: 10.1016/j.ajhg.2019.02.006. Epub 2019 Mar 21.

4.

Combining Mutational Signatures, Clonal Fitness, and Drug Affinity to Define Drug-Specific Resistance Mutations in Cancer.

Kaserer T, Blagg J.

Cell Chem Biol. 2018 Nov 15;25(11):1359-1371.e2. doi: 10.1016/j.chembiol.2018.07.013. Epub 2018 Aug 23.

5.

Evaluation of APOBEC3B Recognition Motifs by NMR Reveals Preferred Substrates.

Liu M, Mallinger A, Tortorici M, Newbatt Y, Richards M, Mirza A, van Montfort RLM, Burke R, Blagg J, Kaserer T.

ACS Chem Biol. 2018 Sep 21;13(9):2427-2432. doi: 10.1021/acschembio.8b00639. Epub 2018 Aug 27.

6.

Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases.

Engeli RT, Rohrer SR, Vuorinen A, Herdlinger S, Kaserer T, Leugger S, Schuster D, Odermatt A.

Int J Mol Sci. 2017 Sep 19;18(9). pii: E2007. doi: 10.3390/ijms18092007.

7.

Virtual screening applications in short-chain dehydrogenase/reductase research.

Beck KR, Kaserer T, Schuster D, Odermatt A.

J Steroid Biochem Mol Biol. 2017 Jul;171:157-177. doi: 10.1016/j.jsbmb.2017.03.008. Epub 2017 Mar 9. Review.

PMID:
28286207
8.

Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR) γ partial agonists.

Kaserer T, Obermoser V, Weninger A, Gust R, Schuster D.

Eur J Med Chem. 2016 Nov 29;124:49-62. doi: 10.1016/j.ejmech.2016.07.072. Epub 2016 Aug 6.

9.

μ Opioid receptor: novel antagonists and structural modeling.

Kaserer T, Lantero A, Schmidhammer H, Spetea M, Schuster D.

Sci Rep. 2016 Feb 18;6:21548. doi: 10.1038/srep21548.

10.

Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands.

Kaserer T, Rigo R, Schuster P, Alcaro S, Sissi C, Schuster D.

J Chem Inf Model. 2016 Mar 28;56(3):484-500. doi: 10.1021/acs.jcim.5b00658. Epub 2016 Mar 1.

PMID:
26841201
11.

Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases.

Kaserer T, Beck KR, Akram M, Odermatt A, Schuster D.

Molecules. 2015 Dec 19;20(12):22799-832. doi: 10.3390/molecules201219880. Review.

12.

Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.

Seebacher W, Faist J, Presser A, Weis R, Saf R, Kaserer T, Temml V, Schuster D, Ortmann S, Otto N, Bauer R.

Eur J Med Chem. 2015 Aug 28;101:552-9. doi: 10.1016/j.ejmech.2015.07.003. Epub 2015 Jul 10.

PMID:
26197159
13.

In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance.

Kaserer T, Höferl M, Müller K, Elmer S, Ganzera M, Jäger W, Schuster D.

Mol Inform. 2015 Jun;34(6-7):431-57. doi: 10.1002/minf.201400192. Epub 2015 Jun 23.

PMID:
27490388
14.

Prospective performance evaluation of selected common virtual screening tools. Case study: Cyclooxygenase (COX) 1 and 2.

Kaserer T, Temml V, Kutil Z, Vanek T, Landa P, Schuster D.

Eur J Med Chem. 2015;96:445-57. doi: 10.1016/j.ejmech.2015.04.017. Epub 2015 Apr 8.

15.

Pharmacophore modeling for COX-1 and -2 inhibitors with LigandScout in comparison to Discovery Studio.

Temml V, Kaserer T, Kutil Z, Landa P, Vanek T, Schuster D.

Future Med Chem. 2014;6(17):1869-81. doi: 10.4155/fmc.14.114.

PMID:
25495981
16.

Accessing biological actions of Ganoderma secondary metabolites by in silico profiling.

Grienke U, Kaserer T, Pfluger F, Mair CE, Langer T, Schuster D, Rollinger JM.

Phytochemistry. 2015 Jun;114:114-24. doi: 10.1016/j.phytochem.2014.10.010. Epub 2014 Nov 6. Review.

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