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Minimal information for chemosensitivity assays (MICHA): a next-generation pipeline to enable the FAIRification of drug screening experiments.
Tanoli Z, Aldahdooh J, Alam F, Wang Y, Seemab U, Fratelli M, Pavlis P, Hajduch M, Bietrix F, Gribbon P, Zaliani A, Hall MD, Shen M, Brimacombe K, Kulesskiy E, Saarela J, Wennerberg K, Vähä-Koskela M, Tang J. Tanoli Z, et al. Among authors: gribbon p. Brief Bioinform. 2022 Jan 17;23(1):bbab350. doi: 10.1093/bib/bbab350. Brief Bioinform. 2022. PMID: 34472587 Free PMC article.
Minimal information for Chemosensitivity assays (MICHA): A next-generation pipeline to enable the FAIRification of drug screening experiments.
Tanoli Z, Aldahdooh J, Alam F, Wang Y, Seemab U, Fratelli M, Pavlis P, Hajduch M, Bietrix F, Gribbon P, Zaliani A, Hall MD, Shen M, Brimacombe K, Kulesskiy E, Saarela J, Wennerberg K, Vähä-Koskela M, Tang J. Tanoli Z, et al. Among authors: gribbon p. bioRxiv [Preprint]. 2021 Jun 12:2020.12.03.409409. doi: 10.1101/2020.12.03.409409. bioRxiv. 2021. PMID: 33300000 Free PMC article. Updated. Preprint.
Selection of data sets for FAIRification in drug discovery and development: Which, why, and how?
Alharbi E, Gadiya Y, Henderson D, Zaliani A, Delfin-Rossaro A, Cambon-Thomsen A, Kohler M, Witt G, Welter D, Juty N, Jay C, Engkvist O, Goble C, Reilly DS, Satagopam V, Ioannidis V, Gu W, Gribbon P. Alharbi E, et al. Among authors: gribbon p. Drug Discov Today. 2022 Aug;27(8):2080-2085. doi: 10.1016/j.drudis.2022.05.010. Epub 2022 May 17. Drug Discov Today. 2022. PMID: 35595012 Free PMC article. Review.
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Günther S, Reinke PYA, Fernández-García Y, Lieske J, Lane TJ, Ginn HM, Koua FHM, Ehrt C, Ewert W, Oberthuer D, Yefanov O, Meier S, Lorenzen K, Krichel B, Kopicki JD, Gelisio L, Brehm W, Dunkel I, Seychell B, Gieseler H, Norton-Baker B, Escudero-Pérez B, Domaracky M, Saouane S, Tolstikova A, White TA, Hänle A, Groessler M, Fleckenstein H, Trost F, Galchenkova M, Gevorkov Y, Li C, Awel S, Peck A, Barthelmess M, Schlünzen F, Lourdu Xavier P, Werner N, Andaleeb H, Ullah N, Falke S, Srinivasan V, França BA, Schwinzer M, Brognaro H, Rogers C, Melo D, Zaitseva-Doyle JJ, Knoska J, Peña-Murillo GE, Mashhour AR, Hennicke V, Fischer P, Hakanpää J, Meyer J, Gribbon P, Ellinger B, Kuzikov M, Wolf M, Beccari AR, Bourenkov G, von Stetten D, Pompidor G, Bento I, Panneerselvam S, Karpics I, Schneider TR, Garcia-Alai MM, Niebling S, Günther C, Schmidt C, Schubert R, Han H, Boger J, Monteiro DCF, Zhang L, Sun X, Pletzer-Zelgert J, Wollenhaupt J, Feiler CG, Weiss MS, Schulz EC, Mehrabi P, Karničar K, Usenik A, Loboda J, Tidow H, Chari A, Hilgenfeld R, Uetrecht C, Cox R, Zaliani A, Beck T, Rarey M, Günther S, Turk D, Hinrichs W, Chapman HN, Pearson AR, Betzel C, Meents A. Günther S, et al. Among authors: gribbon p. Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2. Science. 2021. PMID: 33811162 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: gribbon p. Sci Rep. 2021 May 26;11(1):11049. doi: 10.1038/s41598-021-90296-2. Sci Rep. 2021. PMID: 34040048 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: gribbon p. 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.
Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Kuzikov M, Costanzi E, Reinshagen J, Esposito F, Vangeel L, Wolf M, Ellinger B, Claussen C, Geisslinger G, Corona A, Iaconis D, Talarico C, Manelfi C, Cannalire R, Rossetti G, Gossen J, Albani S, Musiani F, Herzog K, Ye Y, Giabbai B, Demitri N, Jochmans D, Jonghe S, Rymenants J, Summa V, Tramontano E, Beccari AR, Leyssen P, Storici P, Neyts J, Gribbon P, Zaliani A. Kuzikov M, et al. Among authors: gribbon p. ACS Pharmacol Transl Sci. 2021 Mar 11;4(3):1096-1110. doi: 10.1021/acsptsci.0c00216. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 35287429 Free PMC article.
Natural Compounds Inhibit SARS-CoV-2 nsp13 Unwinding and ATPase Enzyme Activities.
Corona A, Wycisk K, Talarico C, Manelfi C, Milia J, Cannalire R, Esposito F, Gribbon P, Zaliani A, Iaconis D, Beccari AR, Summa V, Nowotny M, Tramontano E. Corona A, et al. Among authors: gribbon p. ACS Pharmacol Transl Sci. 2022 Apr 1;5(4):226-239. doi: 10.1021/acsptsci.1c00253. eCollection 2022 Apr 8. ACS Pharmacol Transl Sci. 2022. PMID: 35434533 Free PMC article.
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: gribbon p. 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.
83 results