{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,14]],"date-time":"2026-01-14T15:23:22Z","timestamp":1768404202624,"version":"3.49.0"},"reference-count":51,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2026,1,14]],"date-time":"2026-01-14T00:00:00Z","timestamp":1768348800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Biomolecules"],"abstract":"<jats:p>Dorsomorphin, a pyrazolo[1,5-a]pyrimidine derivative, inhibits the bone morphogenetic protein (BMP) pathway by targeting the type I BMP receptors active in receptor-like kinases. However, the investigation of its\u2014and its derivatives\u2019\u2014antiproliferative activity towards endothelial and cancer cell lines still requires reinforcement with additional studies. In the presented work, several dorsomorphin derivatives have been efficiently synthesized, based on a previously reported synthetic protocol with minor modifications. The endeavor was reinforced by a molecular docking study on the interactions of the designed derivatives with various protein targets, while the inhibitory effects of the synthesized novel molecules on the proliferation of murine leukemia cells (L1210), human T-lymphocyte cells (CEM), human cervix carcinoma cells (HeLa), and endothelial cells (human dermal microvascular, HMEC-1, and bovine aortic endothelial cells, BAECs) were investigated. Among the compounds tested, diphenol 22, emerged as the most promising bioactive lead since it demonstrated half-maximal inhibitory concentration (IC50) values below 9 \u03bcM in all tested lines except HeLa cells. In the same context, the carbamate derivative 6 was determined as a potent inhibitor of endothelial cell proliferation in BAECs at a low micromolar range. In conclusion, the presented work not only reveals promising antiproliferative dorsomorphin derivatives but also sets the basis for further exploitation of dorsomorphin\u2019s bioactive portfolio, based on bioactivity results and molecular modeling calculations.<\/jats:p>","DOI":"10.3390\/biom16010145","type":"journal-article","created":{"date-parts":[[2026,1,14]],"date-time":"2026-01-14T09:03:10Z","timestamp":1768381390000},"page":"145","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Novel Dorsomorphin Derivatives: Molecular Modeling, Synthesis, and Bioactivity Evaluation"],"prefix":"10.3390","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9568-2283","authenticated-orcid":false,"given":"Evangelia N.","family":"Tzanetou","sequence":"first","affiliation":[{"name":"Laboratory of Nutritional Physiology and Feeding, Department of Animal Sciences and Aquaculture, Agricultural University of Athens, Iera Odos 75, 11855 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sandra","family":"Liekens","sequence":"additional","affiliation":[{"name":"Rega Institute for Medical Research, KU Leuven, Minderbroedersstraat 10, B-3000 Leuven, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6631-0667","authenticated-orcid":false,"given":"Konstantinos M.","family":"Kasiotis","sequence":"additional","affiliation":[{"name":"Laboratory of Nutritional Physiology and Feeding, Department of Animal Sciences and Aquaculture, Agricultural University of Athens, Iera Odos 75, 11855 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7028-1870","authenticated-orcid":false,"given":"Nikolas","family":"Fokialakis","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy and Natural Products Chemistry, Faculty of Pharmacy, University of Athens, Panepistimiopolis, Zografou, 15771 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6829-9673","authenticated-orcid":false,"given":"Nikolaos","family":"Tsafantakis","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy and Natural Products Chemistry, Faculty of Pharmacy, University of Athens, Panepistimiopolis, Zografou, 15771 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8105-1947","authenticated-orcid":false,"given":"Raul","family":"SanMartin","sequence":"additional","affiliation":[{"name":"Department of Organic and Inorganic Chemistry, Faculty of Science and Technology, University of the Basque Country, (UPV-EHU), 48940 Leioa, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1534-2762","authenticated-orcid":false,"given":"Haralampos","family":"Tzoupis","sequence":"additional","affiliation":[{"name":"Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1070, Cyprus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Konstantinos D.","family":"Papavasileiou","sequence":"additional","affiliation":[{"name":"Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1070, Cyprus"},{"name":"Department of ChemoInformatics, NovaMechanics MIKE, 18545 Piraeus, Greece"},{"name":"Division of Data Driven Innovation, Entelos Institute, Larnaca 6059, Cyprus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0977-8180","authenticated-orcid":false,"given":"Antreas","family":"Afantitis","sequence":"additional","affiliation":[{"name":"Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1070, Cyprus"},{"name":"Department of ChemoInformatics, NovaMechanics MIKE, 18545 Piraeus, Greece"},{"name":"Division of Data Driven Innovation, Entelos Institute, Larnaca 6059, Cyprus"},{"name":"Department of Pharmacy, Frederick University, Nicosia 1036, Cyprus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5841-3460","authenticated-orcid":false,"given":"Serkos A.","family":"Haroutounian","sequence":"additional","affiliation":[{"name":"Laboratory of Nutritional Physiology and Feeding, Department of Animal Sciences and Aquaculture, Agricultural University of Athens, Iera Odos 75, 11855 Athens, Greece"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2026,1,14]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Arias-Gomez, A., Godoy, A., and Portilla, J. 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