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Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Jalencas X, Berg H, Espeland LO, Sreeramulu S, Kinnen F, Richter C, Georgiou C, Yadrykhinsky V, Specker E, Jaudzems K, Miletić T, Harmel R, Gribbon P, Schwalbe H, Brenk R, Jirgensons A, Zaliani A, Mestres J. Jalencas X, et al. Among authors: zaliani a. RSC Med Chem. 2024 Feb 12;15(4):1176-1188. doi: 10.1039/d3md00724c. eCollection 2024 Apr 24. RSC Med Chem. 2024. PMID: 38665834 Free PMC article.
Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development.
Berg H, Wirtz Martin MA, Altincekic N, Alshamleh I, Kaur Bains J, Blechar J, Ceylan B, de Jesus V, Dhamotharan K, Fuks C, Gande SL, Hargittay B, Hohmann KF, Hutchison MT, Marianne Korn S, Krishnathas R, Kutz F, Linhard V, Matzel T, Meiser N, Niesteruk A, Pyper DJ, Schulte L, Trucks S, Azzaoui K, Blommers MJJ, Gadiya Y, Karki R, Zaliani A, Gribbon P, da Silva Almeida M, Dinis Anobom C, Bula AL, Bütikofer M, Putinhon Caruso Í, Caterina Felli I, Da Poian AT, Cardoso de Amorim G, Fourkiotis NK, Gallo A, Ghosh D, Gomes-Neto F, Gorbatyuk O, Hao B, Kurauskas V, Lecoq L, Li Y, Cunha Mebus-Antunes N, Mompeán M, Cristtina Neves-Martins T, Ninot-Pedrosa M, Pinheiro AS, Pontoriero L, Pustovalova Y, Riek R, Robertson AJ, Jose Abi Saad M, Treviño MÁ, Tsika AC, Almeida FCL, Bax A, Henzler-Wildman K, Hoch JC, Jaudzems K, Laurents DV, Orts J, Pierattelli R, Spyroulias GA, Duchardt-Ferner E, Ferner J, Fürtig B, Hengesbach M, Löhr F, Qureshi N, Richter C, Saxena K, Schlundt A, Sreeramulu S, Wacker A, Weigand JE, Wirmer-Bartoschek J, Wöhnert J, Schwalbe H. Berg H, et al. Among authors: zaliani a. Angew Chem Int Ed Engl. 2022 Nov 14;61(46):e202205858. doi: 10.1002/anie.202205858. Epub 2022 Oct 13. Angew Chem Int Ed Engl. 2022. PMID: 36115062 Free PMC article.
A method for the rational selection of drug repurposing candidates from multimodal knowledge harmonization.
Schultz B, Zaliani A, Ebeling C, Reinshagen J, Bojkova D, Lage-Rupprecht V, Karki R, Lukassen S, Gadiya Y, Ravindra NG, Das S, Baksi S, Domingo-Fernández D, Lentzen M, Strivens M, Raschka T, Cinatl J, DeLong LN, Gribbon P, Geisslinger G, Ciesek S, van Dijk D, Gardner S, Kodamullil AT, Fröhlich H, Peitsch M, Jacobs M, Hoeng J, Eils R, Claussen C, Hofmann-Apitius M. Schultz B, et al. Among authors: zaliani a. Sci Rep. 2021 May 26;11(1):11049. doi: 10.1038/s41598-021-90296-2. Sci Rep. 2021. PMID: 34040048 Free PMC article.
Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort.
Zaliani A, Vangeel L, Reinshagen J, Iaconis D, Kuzikov M, Keminer O, Wolf M, Ellinger B, Esposito F, Corona A, Tramontano E, Manelfi C, Herzog K, Jochmans D, De Jonghe S, Chiu W, Francken T, Schepers J, Collard C, Abbasi K, Claussen C, Summa V, Beccari AR, Neyts J, Gribbon P, Leyssen P. Zaliani A, et al. Sci Data. 2022 Jul 13;9(1):405. doi: 10.1038/s41597-022-01532-x. Sci Data. 2022. PMID: 35831315 Free PMC article.
A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanism.
Lage-Rupprecht V, Schultz B, Dick J, Namysl M, Zaliani A, Gebel S, Pless O, Reinshagen J, Ellinger B, Ebeling C, Esser A, Jacobs M, Claussen C, Hofmann-Apitius M. Lage-Rupprecht V, et al. Among authors: zaliani a. Patterns (N Y). 2022 Jan 26;3(3):100433. doi: 10.1016/j.patter.2021.100433. eCollection 2022 Mar 11. Patterns (N Y). 2022. PMID: 35510183 Free PMC article.
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics.
Gossen J, Albani S, Hanke A, Joseph BP, Bergh C, Kuzikov M, Costanzi E, Manelfi C, Storici P, Gribbon P, Beccari AR, Talarico C, Spyrakis F, Lindahl E, Zaliani A, Carloni P, Wade RC, Musiani F, Kokh DB, Rossetti G. Gossen J, et al. Among authors: zaliani a. ACS Pharmacol Transl Sci. 2021 Mar 16;4(3):1079-1095. doi: 10.1021/acsptsci.0c00215. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 34136757 Free PMC article.
63 results