Morphological profiling data resource enables prediction of chemical compound properties
Summary: Morphological profiling with the Cell Painting assay has emerged as a promising method in drug discovery research. The assay captures morphological changes across various cellular compartments enabling the rapid prediction of compound bioactivity. We present a comprehensive morphological pr...
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Elsevier
2025-05-01
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2589004225007060 |
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| author | Christopher Wolff Martin Neuenschwander Carsten Jörn Beese Divya Sitani Maria C. Ramos Alzbeta Srovnalova María José Varela Pavel Polishchuk Katholiki E. Skopelitou Ctibor Škuta Bahne Stechmann José Brea Mads Hartvig Clausen Petr Dzubak Rosario Fernández-Godino Olga Genilloud Marian Hajduch María Isabel Loza Martin Lehmann Jens Peter von Kries Han Sun Christopher Schmied |
| author_facet | Christopher Wolff Martin Neuenschwander Carsten Jörn Beese Divya Sitani Maria C. Ramos Alzbeta Srovnalova María José Varela Pavel Polishchuk Katholiki E. Skopelitou Ctibor Škuta Bahne Stechmann José Brea Mads Hartvig Clausen Petr Dzubak Rosario Fernández-Godino Olga Genilloud Marian Hajduch María Isabel Loza Martin Lehmann Jens Peter von Kries Han Sun Christopher Schmied |
| author_sort | Christopher Wolff |
| collection | DOAJ |
| description | Summary: Morphological profiling with the Cell Painting assay has emerged as a promising method in drug discovery research. The assay captures morphological changes across various cellular compartments enabling the rapid prediction of compound bioactivity. We present a comprehensive morphological profiling resource using the carefully curated and well-annotated EU-OPENSCREEN Bioactive compounds. The data were generated across four imaging sites with high-throughput confocal microscopes using the Hep G2 as well as the U2 OS cell lines. We employed an extensive assay optimization process to achieve high data quality across the different sites. An analysis of the extracted profiles validates the robustness of the generated data. We used this resource to compare the morphological features of the different cell lines. By correlating the profiles with overall activity, cellular toxicity, several specific mechanisms of action (MOAs), and protein targets, we demonstrate the dataset’s potential for facilitating more extensive exploration of MOAs. |
| format | Article |
| id | doaj-art-4f6d8dff4eca4bdfa084832389986bbe |
| institution | Kabale University |
| issn | 2589-0042 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | iScience |
| spelling | doaj-art-4f6d8dff4eca4bdfa084832389986bbe2025-08-20T03:48:32ZengElsevieriScience2589-00422025-05-0128511244510.1016/j.isci.2025.112445Morphological profiling data resource enables prediction of chemical compound propertiesChristopher Wolff0Martin Neuenschwander1Carsten Jörn Beese2Divya Sitani3Maria C. Ramos4Alzbeta Srovnalova5María José Varela6Pavel Polishchuk7Katholiki E. Skopelitou8Ctibor Škuta9Bahne Stechmann10José Brea11Mads Hartvig Clausen12Petr Dzubak13Rosario Fernández-Godino14Olga Genilloud15Marian Hajduch16María Isabel Loza17Martin Lehmann18Jens Peter von Kries19Han Sun20Christopher Schmied21Leibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyFundación MEDINA, Centro de Excelencia en Investigación de Medicamentos Innovadores en Andalucía. Parque Tecnológico Ciencias de la Salud, Avda. del Conocimiento 34, 18016 Armilla, Granada, SpainInstitute of Molecular and Translational Medicine, Palacky University and University Hospital in Olomouc, Faculty of Medicine and Dentistry, Hněvotínská 5, 77515 Olomouc, Czech RepublicBiofarma Research Group, Centro de Investigación CIMUS, Departamento de Farmacología, Facultad de Farmacia, Instituto de Investigaciones Sanitarias IDIS, Universidade de Santiago de Compostela, 15706 Santiago de Compostela, SpainInstitute of Molecular and Translational Medicine, Palacky University and University Hospital in Olomouc, Faculty of Medicine and Dentistry, Hněvotínská 5, 77515 Olomouc, Czech RepublicEU-OPENSCREEN ERIC, Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyCZ-OPENSCREEN: National Infrastructure for Chemical Biology, Institute of Molecular Genetics of the Czech Academy of Sciences, Vídeňská 1083, 14220 Prague 4, Czech RepublicEU-OPENSCREEN ERIC, Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyBiofarma Research Group, Centro de Investigación CIMUS, Departamento de Farmacología, Facultad de Farmacia, Instituto de Investigaciones Sanitarias IDIS, Universidade de Santiago de Compostela, 15706 Santiago de Compostela, SpainEU-OPENSCREEN ERIC, Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyInstitute of Molecular and Translational Medicine, Palacky University and University Hospital in Olomouc, Faculty of Medicine and Dentistry, Hněvotínská 5, 77515 Olomouc, Czech RepublicFundación MEDINA, Centro de Excelencia en Investigación de Medicamentos Innovadores en Andalucía. Parque Tecnológico Ciencias de la Salud, Avda. del Conocimiento 34, 18016 Armilla, Granada, SpainFundación MEDINA, Centro de Excelencia en Investigación de Medicamentos Innovadores en Andalucía. Parque Tecnológico Ciencias de la Salud, Avda. del Conocimiento 34, 18016 Armilla, Granada, SpainInstitute of Molecular and Translational Medicine, Palacky University and University Hospital in Olomouc, Faculty of Medicine and Dentistry, Hněvotínská 5, 77515 Olomouc, Czech RepublicBiofarma Research Group, Centro de Investigación CIMUS, Departamento de Farmacología, Facultad de Farmacia, Instituto de Investigaciones Sanitarias IDIS, Universidade de Santiago de Compostela, 15706 Santiago de Compostela, SpainLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, GermanyLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, Germany; Corresponding authorLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, Germany; Corresponding authorLeibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP), Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, Germany; EU-OPENSCREEN ERIC, Campus Berlin-Buch, Robert-Roessle-Str. 10, 13125 Berlin, Germany; Corresponding authorSummary: Morphological profiling with the Cell Painting assay has emerged as a promising method in drug discovery research. The assay captures morphological changes across various cellular compartments enabling the rapid prediction of compound bioactivity. We present a comprehensive morphological profiling resource using the carefully curated and well-annotated EU-OPENSCREEN Bioactive compounds. The data were generated across four imaging sites with high-throughput confocal microscopes using the Hep G2 as well as the U2 OS cell lines. We employed an extensive assay optimization process to achieve high data quality across the different sites. An analysis of the extracted profiles validates the robustness of the generated data. We used this resource to compare the morphological features of the different cell lines. By correlating the profiles with overall activity, cellular toxicity, several specific mechanisms of action (MOAs), and protein targets, we demonstrate the dataset’s potential for facilitating more extensive exploration of MOAs.http://www.sciencedirect.com/science/article/pii/S2589004225007060Chemistry |
| spellingShingle | Christopher Wolff Martin Neuenschwander Carsten Jörn Beese Divya Sitani Maria C. Ramos Alzbeta Srovnalova María José Varela Pavel Polishchuk Katholiki E. Skopelitou Ctibor Škuta Bahne Stechmann José Brea Mads Hartvig Clausen Petr Dzubak Rosario Fernández-Godino Olga Genilloud Marian Hajduch María Isabel Loza Martin Lehmann Jens Peter von Kries Han Sun Christopher Schmied Morphological profiling data resource enables prediction of chemical compound properties iScience Chemistry |
| title | Morphological profiling data resource enables prediction of chemical compound properties |
| title_full | Morphological profiling data resource enables prediction of chemical compound properties |
| title_fullStr | Morphological profiling data resource enables prediction of chemical compound properties |
| title_full_unstemmed | Morphological profiling data resource enables prediction of chemical compound properties |
| title_short | Morphological profiling data resource enables prediction of chemical compound properties |
| title_sort | morphological profiling data resource enables prediction of chemical compound properties |
| topic | Chemistry |
| url | http://www.sciencedirect.com/science/article/pii/S2589004225007060 |
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