{"entity": "researcher", "timestamp": "2026-09-23T22:39:58.011Z", "family": "Lindqvist", "given": "Annika", "initials": "A", "orcid": "0009-0003-2587-8434", "affiliations": ["Department of Pharmacy, SciLifeLab Drug Discovery and Development Platform, Uppsala University, Box 580, SE-751 23 Uppsala, Sweden."], "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/researcher/89bd045cc7844e508c837da8a2887a22.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/researcher/89bd045cc7844e508c837da8a2887a22"}}, "publications": [{"entity": "publication", "iuid": "bdf3cb94b9174341ab174b54af83f9e4", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/bdf3cb94b9174341ab174b54af83f9e4.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/bdf3cb94b9174341ab174b54af83f9e4"}}, "title": "AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine-associated receptor 1.", "authors": [{"family": "D\u00edaz-Holgu\u00edn", "given": "Alejandro", "initials": "A", "orcid": "0000-0002-3449-5086", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/049a8f250afa402fb1813f9a0288dcb0.json"}}, {"family": "Saarinen", "given": "Marcus", "initials": "M"}, {"family": "Vo", "given": "Duc Duy", "initials": "DD"}, {"family": "Sturchio", "given": "Andrea", "initials": "A"}, {"family": "Branzell", "given": "Niclas", "initials": "N"}, {"family": "Cabeza de Vaca", "given": "Israel", "initials": "I", "orcid": "0000-0002-6208-1091", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/defa085f944942239696861994f25e79.json"}}, {"family": "Hu", "given": "Huabin", "initials": "H"}, {"family": "Mitjavila-Dom\u00e8nech", "given": "N\u00faria", "initials": "N"}, {"family": "Lindqvist", "given": "Annika", "initials": "A", "orcid": "0009-0003-2587-8434", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/89bd045cc7844e508c837da8a2887a22.json"}}, {"family": "Baranczewski", "given": "Pawel", "initials": "P", "orcid": "0000-0001-5772-6791", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/327feae3833d425c9d5936f48627390c.json"}}, {"family": "Millan", "given": "Mark J", "initials": "MJ"}, {"family": "Yang", "given": "Yunting", "initials": "Y", "orcid": "0000-0001-5700-1547", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b69ec9e8f589441482276a35ef678124.json"}}, {"family": "Carlsson", "given": "Jens", "initials": "J", "orcid": "0000-0003-4623-2977", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/792c1cd4aca248dc94b967115ffa82df.json"}}, {"family": "Svenningsson", "given": "Per", "initials": "P", "orcid": "0000-0001-6727-3802", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b01bbacfa24e4b9794734bf1121d1c38.json"}}], "type": "journal article", "published": "2024-08-09", "journal": {"title": "Sci Adv", "issn": "2375-2548", "volume": "10", "issue": "32", "pages": "eadn1524", "issn-l": "2375-2548"}, "abstract": "Artificial intelligence is revolutionizing protein structure prediction, providing unprecedented opportunities for drug design. To assess the potential impact on ligand discovery, we compared virtual screens using protein structures generated by the AlphaFold machine learning method and traditional homology modeling. More than 16 million compounds were docked to models of the trace amine-associated receptor 1 (TAAR1), a G protein-coupled receptor of unknown structure and target for treating neuropsychiatric disorders. Sets of 30 and 32 highly ranked compounds from the AlphaFold and homology model screens, respectively, were experimentally evaluated. Of these, 25 were TAAR1 agonists with potencies ranging from 12 to 0.03 \u03bcM. The AlphaFold screen yielded a more than twofold higher hit rate (60%) than the homology model and discovered the most potent agonists. A TAAR1 agonist with a promising selectivity profile and drug-like properties showed physiological and antipsychotic-like effects in wild-type but not in TAAR1 knockout mice. These results demonstrate that AlphaFold structures can accelerate drug discovery.", "doi": "10.1126/sciadv.adn1524", "pmid": "39110804", "labels": {"SciLifeLab Fellow": "", "Jens Carlsson": ""}, "xrefs": [{"db": "pmc", "key": "PMC11305387"}], "notes": [], "created": "2026-09-23T08:42:45.034Z", "modified": "2026-09-23T08:42:45.344Z"}, {"entity": "publication", "iuid": "8923e25544c44ed9993b5b5c8954e17f", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/8923e25544c44ed9993b5b5c8954e17f.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/8923e25544c44ed9993b5b5c8954e17f"}}, "title": "Transfer of cetirizine/levocetirizine into human breast milk and estimation of drug exposure to infants through breastfeeding: A human lactation study from the ConcePTION project.", "authors": [{"family": "Nordeng", "given": "Hedvig", "initials": "H", "orcid": "0000-0001-6361-2918", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e149ec4deccc4c02a3d77948d4a3355d.json"}}, {"family": "Wegler", "given": "Christine", "initials": "C", "orcid": "0000-0002-2810-7518", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/fcb45d19c52847f19bd5c0aa296afe10.json"}}, {"family": "Lindqvist", "given": "Annika", "initials": "A", "orcid": "0009-0003-2587-8434", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/89bd045cc7844e508c837da8a2887a22.json"}}, {"family": "Melander", "given": "Erik", "initials": "E", "orcid": "0009-0002-9981-3505", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8526de87b7914d7a9c62170c26fb9e4f.json"}}, {"family": "Magnusson", "given": "Mikaela", "initials": "M", "orcid": "0000-0003-4347-2094", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/eade0faf6b75494d84a4ad63d2799040.json"}}, {"family": "Gandia", "given": "Peggy", "initials": "P", "orcid": "0000-0002-4385-7894", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/6b66aba78159426ca9c50d348c962a3d.json"}}, {"family": "Panchaud", "given": "Alice", "initials": "A", "orcid": "0000-0001-6086-2401", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/abd99a5f06aa401a86e0c14de367c914.json"}}, {"family": "Baranczewski", "given": "Pawel", "initials": "P", "orcid": "0000-0001-5772-6791", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/327feae3833d425c9d5936f48627390c.json"}}, {"family": "Spigset", "given": "Olav", "initials": "O", "orcid": "0000-0001-7902-9014", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/4029fefdca91491896e055abda57f25d.json"}}], "type": "journal article", "published": "2024-01-00", "journal": {"title": "Basic Clin. Pharmacol. Toxicol.", "issn": "1742-7843", "volume": "134", "issue": "1", "pages": "153-164", "issn-l": "1742-7835"}, "abstract": "Data on drug transfer into human breast milk are sparse. This study aimed to quantify concentrations of cetirizine and levocetirizine in breast milk and to estimate drug exposure to infants. Breastfeeding women at least 8 weeks postpartum and using cetirizine or its pure (R)-enantiomer levocetirizine were eligible to participate. Breast milk samples were collected at six predefined times during a dose interval (0, 2, 4, 8, 12 and 24 h after drug intake) at steady state. Infant drug exposure was estimated by calculating the absolute infant dose (AID) and the weight-adjusted relative infant dose (RID). In total, 32 women were eligible for final inclusion, 31 women using cetirizine and one woman using levocetirizine. Means of the individual maximum and average cetirizine milk concentrations were 41.0 and 16.8 \u03bcg/L, respectively. Maximum concentrations occurred on average 2.4 h after intake, and the mean half-life in milk was 7.0 h. Estimated AID and RID for cetirizine in a day were 2.5 \u03bcg/kg and 1.9%, respectively. The corresponding values for levocetirizine were 1.1 \u03bcg/kg and 1.9%. No severe adverse events were reported. Our findings demonstrate that the transfer of cetirizine and levocetirizine into breast milk is low and compatible with breastfeeding.", "doi": "10.1111/bcpt.13948", "pmid": "37811726", "labels": [], "xrefs": [], "notes": [], "created": "2026-09-23T12:10:11.915Z", "modified": "2026-09-23T12:10:12.195Z"}]}