{"entity": "researcher", "timestamp": "2026-08-23T10:13:01.620Z", "family": "Matosiuk", "given": "Dariusz", "initials": "D", "orcid": "0000-0002-2373-9479", "affiliations": ["Department of Synthesis and Chemical Technology of Pharmaceutical Substances with Computer Modelling Lab, Faculty of Pharmacy, Medical University of Lublin, 4A Chod\u017aki St., 20059, Lublin, Poland."], "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/researcher/b9b64087f0084246a2d3c6f8f0f3aa4f.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/researcher/b9b64087f0084246a2d3c6f8f0f3aa4f"}}, "publications": [{"entity": "publication", "iuid": "f5ae2c416c2747b799b33e6a70f6d97e", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/f5ae2c416c2747b799b33e6a70f6d97e.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/f5ae2c416c2747b799b33e6a70f6d97e"}}, "title": "Discovery and in vitro Evaluation of Novel Serotonin 5-HT2A Receptor Ligands Identified Through Virtual Screening.", "authors": [{"family": "Zi\u0119ba", "given": "Agata", "initials": "A", "orcid": "0000-0002-8515-7482", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/aef8d9dcbc1f47b59d994eb479a49706.json"}}, {"family": "Bartuzi", "given": "Damian", "initials": "D", "orcid": "0000-0001-9927-376X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8128c42641ce4b5897e1b10b0c82171b.json"}}, {"family": "St\u0119pnicki", "given": "Piotr", "initials": "P", "orcid": "0000-0002-3470-8248", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/7d1babb0cb2b4d10a0102d25e247b69e.json"}}, {"family": "Matosiuk", "given": "Dariusz", "initials": "D", "orcid": "0000-0002-2373-9479", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b9b64087f0084246a2d3c6f8f0f3aa4f.json"}}, {"family": "Wr\u00f3bel", "given": "Tomasz M", "initials": "TM", "orcid": "0000-0002-0313-2522", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/63e0ecf2f00c462fad21cd18aa24b3cd.json"}}, {"family": "Laitinen", "given": "Tuomo", "initials": "T", "orcid": "0000-0003-1539-2142", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/22b9b85e4f774c0aa2b1a3f456d2e717.json"}}, {"family": "Castro", "given": "Mari\u00e1n", "initials": "M", "orcid": "0000-0002-4732-1966", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f925fe05307148ae93c46575c8003986.json"}}, {"family": "Kaczor", "given": "Agnieszka A", "initials": "AA", "orcid": "0000-0001-8679-9623", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b12c9906344e49e99ded4746e8204544.json"}}], "type": "journal article", "published": "2024-07-15", "journal": {"title": "ChemMedChem", "issn": "1860-7187", "volume": "19", "issue": "14", "pages": "e202400080", "issn-l": "1860-7179"}, "abstract": "The 5-HT2A receptor is a molecular target of high pharmacological importance. Ligands of this protein, particularly atypical antipsychotics, are useful in the treatment of numerous mental disorders, including schizophrenia and major depressive disorder. Structure-based virtual screening using a 5-HT2A receptor complex was performed to identify novel ligands for the 5-HT2A receptor, serving as potential antidepressants. From the Enamine screening library, containing over 4 million compounds, 48 molecules were selected for subsequent experimental validation. These compounds were tested against the 5-HT2A receptor in radioligand binding assays. From the tested batch, six molecules were identified as ligands of the main molecular target and were forwarded to a more detailed in vitro profiling. This included radioligand binding assays at 5-HT1A, 5-HT7, and D2 receptors and functional studies at 5-HT2A receptors. These compounds were confirmed to show a binding affinity for at least one of the targets tested in vitro. The success rate for the inactive template-based screening reached 17 %, while it was 9 % for the active template-based screening. Similarity and fragment analysis indicated the structural novelty of the identified compounds. Pharmacokinetics for these molecules was determined using in silico approaches.", "doi": "10.1002/cmdc.202400080", "pmid": "38619283", "labels": [], "xrefs": [], "notes": [], "created": "2026-08-21T11:01:07.208Z", "modified": "2026-08-21T11:01:07.379Z"}]}