Publications
Showing entries 121 - 140 out of 231
2017
Nikiforuk A, Kalaba P, Ilic M, Korz V, Dragacevic V, Wackerlig J et al. A Novel Dopamine Transporter Inhibitor CE-123 Improves Cognitive Flexibility and Maintains Impulsivity in Healthy Male Rats. Frontiers in Behavioral Neuroscience . 2017 Nov 27;11:222. doi: 10.3389/fnbeh.2017.00222
Kalaba P, Aher NY, Ilic M, Dragacevic V, Wieder M, Miklosi AG et al. Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. Journal of Medicinal Chemistry. 2017 Nov 23;60(22):9330-9348. doi: 10.1021/acs.jmedchem.7b01313
Parisi G, Monticelli S, Holzer W, Langer T, Degennaro L, Pace V et al. Exploiting a "Beast" in Carbenoid Chemistry: Development of a Straightforward Direct Nucleophilic Fluoromethylation Strategy. Journal of the American Chemical Society. 2017 Oct 4;139(39):13648–13651. doi: 10.1021/jacs.7b07891
Pace V, Castoldi L, Mazzeo E, Rui M, Langer T, Holzer W. Efficient Access to All-Carbon Quaternary and Tertiary α-Functionalized Homoallyl-type Aldehydes from Ketones. Angewandte Chemie (International Edition). 2017 Oct 2;56(41):12677-12682. doi: 10.1002/anie.201706236
Perricone U, Wieder M, Seidel T, Langer T, Padova A, Almerico AM et al. A Molecular Dynamics–Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α. ChemMedChem: chemistry enabling drug discovery. 2017 Aug 22;12(16):1399-1407. doi: 10.1002/cmdc.201600526
Aher Y, Kalaba P, Aher NY, Leban J, Urban E, Langer T et al. A novel heterocyclic compound improves working memory in the radial arm maze and modulates the dopamine receptor D1R in frontal cortex of the Sprague-Dawley rat. Behavioural Brain Research. 2017 Aug 14;332:308-315. doi: 10.1016/j.bbr.2017.06.023
Shanmugasundaram B, Aher YD, Aradska J, Ilic M, Feyissa DD, Kalaba P et al. R-Modafinil exerts weak effects on spatial memory acquisition and dentate gyrus synaptic plasticity. PLoS ONE. 2017 Jun 23;12(6):e0179675. doi: 10.1371/journal.pone.0179675
Seidel T, Bryant S, Ibis G, Poli G, Langer T. 3D pharmacophore modeling techniques in computer-aided molecular design using LigandScout. In Varnek A, editor, Tutorials in Chemoinformatics. Wiley VCH. 2017. p. 279-309 doi: 10.1002/9781119161110.ch20, 10.1002/9781119161110.ch20
Langer T. Next Generation Pharmacophore Modeling: Tools & Applications for Compound Design and Toxicity Risk Assessment Frontiers in Medicinal Chemistry. 2017.
Wieder M, Garon A, Perricone U, Boresch S, Seidel T, Almerico AM et al. Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations. Journal of Chemical Information and Modeling. 2017 Feb;57(2):365-385. doi: 10.1021/acs.jcim.6b00674
Monticelli S, Castoldi L, Murgia I, Senatore R, Wackerlig J, Urban E et al. Recent advancements on the use of 2-methyltetrahydrofuran in organometallic chemistry. Monatshefte für Chemie. 2017 Jan;148:37–48. doi: 10.1007/s00706-016-1879-3
Castoldi L, Holzer W, Langer T, Pace V. Evidence and isolation of tetrahedral intermediates formed upon the addition of lithium carbenoids to Weinreb amides and N-acylpyrroles. Chemical Communications. 2017;53(68):9498-9501. doi: 10.1039/C7CC05215D
2016
Stular T, Lesnik S, Rozman K, Schink J, Zdouc M, Ghysels A et al. Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction. Journal of Medicinal Chemistry. 2016 Nov 29;59(24):11069-11078. doi: 10.1021/acs.jmedchem.6b01277
Monticelli S, Parisi G, Rui M, de la Vega-Hernandez K, Murgia I, Senatore R et al. The Use of the Comins-Meyers Amide in Synthetic Chemistry: an Overview. Natural Product Communications: an international journal for communications and reviews. 2016 Nov;11(11):1729-1732.
Saroja SR, Aher YD, Kalaba P, Aher NY, Zehl M, Korz V et al. A novel heterocyclic compound targeting the dopamine transporter improves performance in the radial arm maze and modulates dopamine receptors D1-D3. Behavioural Brain Research. 2016 Oct 1;312:127-137. doi: 10.1016/j.bbr.2016.06.011
Wieder M, Perricone U, Seidel T, Langer T. Pharmacophore models derived from molecular dynamics simulations of protein-ligand complexes: A case study. Natural Product Communications. 2016 Oct;11(10):1499-1504. doi: 10.1177/1934578x1601101019
Pace V, De La Vega-Hernández K, Urban E, Langer T. Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to Formamides. Organic Letters. 2016 Jun 3;18(11):2750-2753. doi: 10.1021/acs.orglett.6b01226
Laurence DJ, Morice C, Florence C, Gay J, Langer T, Frantz MC et al. Fragment pharmacophore-based in silico Screening: a powerful Approach for efficient lead discovery. MedChemComm. 2016 Mar 1;7(3):506-511. Epub 2016 Jan 4. doi: 10.1039/C5MD00444F
Sase A, Aher YD, Saroja SR, Ganesan MK, Sase S, Holy M et al. A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes. Neuropharmacology. 2016 Mar;102:186-196. doi: 10.1016/j.neuropharm.2015.07.039
Wieder M, Perricone U, Seidel T, Boresch S, Langer T. Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations. Monatshefte für Chemie. 2016 Mar;147(3):553-563. doi: 10.1007/s00706-016-1674-1
Showing entries 121 - 140 out of 231