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Sharon Bryant, MSc MBA
Bajorath, J, Bryant, SD, Gasteiger, J, Horvath, D, Langer, T, Rognan, D, Schneider, G & Varnek, A 2024, '8名の科学者に聞く 世界の動きから考えるデータ駆動化学の今: 小特集 データ駆動化学の現在地 ショウトクシュウ データ クドウ カガク ノ ゲン ザイチ', Gendai Kagaku, vol. 639, no. 06, pp. 28-33. <https://cir.nii.ac.jp/crid/1520581766245486848>
Bampali, K, Koniuszewski, F, Vogel, FD, Fabjan, J, Andronis, C, Lekka, E, Virvillis, V, Seidel, T, Delaunois, A, Royer, L, Rolf, MG, Giuliano, C, Traebert, M, Roussignol, G, Fric-Bordat, M, Mazelin-Winum, L, Bryant, SD, Langer, T & Ernst, M 2023, 'GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach', Cell Biology and Toxicology, vol. 39, no. 6, pp. 2793-2819. https://doi.org/10.1007/s10565-023-09803-y
Gratteri, C, Ambrosio, FA, Lupia, A, Moraca, F, Catalanotti, B, Costa, G, Bellocchi, M, Carioti, L, Salpini, R, Ceccherini-Silberstein, F, Frazia, SL, Malagnino, V, Sarmati, L, Svicher, V, Bryant, S, Artese, A & Alcaro, S 2023, 'Molecular and Structural Aspects of Clinically Relevant Mutations of SARS-CoV-2 RNA-Dependent RNA Polymerase in Remdesivir-Treated Patients', Pharmaceuticals, vol. 16, no. 8, 1143. https://doi.org/10.3390/ph16081143
Kohlbacher, SM, Ibis, G, Permann, C, Bryant, S, Langer, T & Seidel, T 2023, 'A new set of KNIME nodes implementing the QPhAR algorithm', Molecular Informatics, vol. 42, no. 5, 2200245. https://doi.org/10.1002/minf.202200245
Bryant, SD, Ibis, G, Seidel, T, Kohlbacher, SM, Heider, J, Ernst, M, Bampali, K, Koniuszewski, F, Virvilis, V, Lekka, E, Persidis, A, Mayache, M-A, Weissmann, D & Langer, T 2022, 'The NeuroDeRisk toolbox: DeRisking chemical structures for neurotoxic adverse outcomes', Toxicology Letters, vol. 368, no. Suppl. 1, pp. 82-82. https://doi.org/10.1016/j.toxlet.2022.07.239, https://doi.org/10.1016/j.toxlet.2022.07.239
Bryant, S & Langer, T 2021, 'Successful Drug Discovery, Volume 5. Edited by János Fischer, Christian Klein, and Wayne E. Childers', ChemMedChem, vol. 17, no. 9. https://doi.org/10.1002/cmdc.202100705
Wieder, O, Kuenemann, M, Wieder, M, Seidel, T, Meyer, C, Bryant, SD & Langer, T 2021, 'Improved lipophilicity and aqueous solubility prediction with composite graph neural networks', Molecules, vol. 26, no. 20, 6185. https://doi.org/10.3390/molecules26206185
Tomašič, T, Zubrienė, A, Skok, Ž, Martini, R, Pajk, S, Sosič, I, Ilaš, J, Matulis, D & Bryant, SD 2021, 'Selective DNA gyrase inhibitors: Multi-target in silico profiling with 3D-pharmacophores', Pharmaceuticals, vol. 14, no. 8, 789. https://doi.org/10.3390/ph14080789
Garon, A, Wieder, O, Bareis, K, Seidel, T, Ibis, G, Bryant, S, Theret, I, Ducrot, P & Langer, T 2020, 'Hierarchical Graph Representation of Pharmacophore Models', Frontiers in Molecular Biosciences, vol. 7, 599059. https://doi.org/10.3389/fmolb.2020.599059, https://doi.org/10.3389/fmolb.2020.599059
Ramsay, RR, Basile, L, Maniquet, A, Hagenow, S, Pappalardo, M, Saija, MC, Bryant, SD, Albreht, A & Guccione, S 2020, 'Parameters for Irreversible Inactivation of Monoamine Oxidase', Molecules (Basel, Switzerland), vol. 25, no. 24, 5908. https://doi.org/10.3390/molecules25245908
Tomašič, T, Durcik, M, Keegan, BM, Skledar, DG, Zajec, Ž, Blagg, BSJ & Bryant, SD 2020, 'Discovery of novel HSP90 C-Terminal inhibitors using 3D-pharmacophores derived from molecular dynamics simulations', International Journal of Molecular Sciences, vol. 21, no. 18, 6898, pp. 1-22. https://doi.org/10.3390/ijms21186898
Langer, T & Bryant, SD 2020, 'Successful Drug Discovery, Volume 4: Edited by János Fischer, Christian Klein, and Wayne E. Childers' ChemMedChem, vol. 15, no. 1, pp. 173-173. https://doi.org/10.1002/cmdc.201900599
Bryant, SD, Langer, T, Martini, R, Ramilo-Gomes, F, Guedes, RC & Marques, MM 2019, 'Structure and ligand-based design of promising small molecule EZH2 inhibitors', American Chemical Society. Abstracts of Papers (at the National Meeting), vol. 258. <https://www.acsmedchem.org/data/258th-National-ACS-Meeting-mediabstractf2019.pdf>
Muchtaridi, M, Yusuf, M, Syahidah, HN, Subarnas, A, Zamri, A, Bryant, S & Langer, T 2019, 'Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation', Advances and Applications in Bioinformatics and Chemistry, vol. 12, pp. 33-43. https://doi.org/10.2147/AABC.S217205
Ortuso, F, Bagetta, D, Maruca, A, Talarico, C, Bolognesi, ML, Haider, N, Borges, F, Bryant, S, Langer, T, Senderowitz, H & Alcaro, S 2018, 'The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing', Frontiers in Chemistry, vol. 6, 130. https://doi.org/10.3389/fchem.2018.00130
Muchtaridi, M, Syahidah, HN, Subarnas, A, Yusuf, M, Bryant, SD & Langer, T 2017, 'Molecular Docking and 3D-Pharmacophore Modeling to Study the Interactions of Chalcone Derivatives with Estrogen Receptor Alpha', Pharmaceuticals, vol. 10, no. 4, 81. https://doi.org/10.3390/ph10040081
Seidel, T, Bryant, S, Ibis, G, Poli, G & Langer, T 2017, 3D pharmacophore modeling techniques in computer-aided molecular design using LigandScout. in A Varnek (ed.), Tutorials in Chemoinformatics. Wiley VCH, pp. 279-309. https://doi.org/10.1002/9781119161110.ch20, https://doi.org/10.1002/9781119161110.ch20
Kellici, T, Ntountaniotis, D, Vrontaki, E, Liapakis, G, Moutevelis-Minakakis, P, Kokotos, G, Hadjikakou, S, Tzakos, AG, Afantitis, A, Melagraki, G, Bryant, S, Langer, T, Di Marzo, V & Mavromoustakos, T 2015, 'Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs', Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 3, pp. 238-256. https://doi.org/10.2174/1386207318666150305125638
Hardy, B, Affentranger, R, Contini, A, Gutierrez de Teran, H, Spitzner, J, Papoian, R, Seibel, WI, Nelson, S, Wiseman, J, Bryant, S, Lucet, I & Doerig, C 2013, Collaborative Drug Design of Plasmodium Kinase Inhibitors. in C Doerig, G Spaeth & M Wiese (eds), Protein phosphorylation in parasites: novel targets for antiparasitic intervention. Wiley VCH, Weinheim, Drug discovery in infectious diseases, vol. 5, pp. 375-416. https://doi.org/10.1002/9783527675401.ch18, https://doi.org/10.1002/9783527675401.ch18
Bryant, S & Langer, T 2013, Data Mining Using Ligand Profiling and Target Fishing. in R Hoffman, A Gohier & P Pospisil (eds), Data Mining in Drug Discovery. Wiley VCH, Methods and Principles in Medicinal Chemistry. https://doi.org/10.1002/9783527655984

Department of Pharmaceutical Sciences

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien

sharon.bryant@univie.ac.at