{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T01:08:38Z","timestamp":1789348118753,"version":"build-2803163510"},"reference-count":35,"publisher":"Wiley","issue":"17","license":[{"start":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T00:00:00Z","timestamp":1788134400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T00:00:00Z","timestamp":1788134400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemMedChem"],"published-print":{"date-parts":[[2026,9,14]]},"abstract":"<jats:p>\n                    Autotaxin (ATX), a lysophospholipase D playing an important role in several inflammatory diseases, as well as in tumor invasion, progression, and metastasis, is an attractive therapeutic target. Herein, we report a virtual screening study of an in\u2010house molecular database. In silico simulations highlighted five putative ATX inhibitors. The enzyme assay showed that compound\n                    <jats:bold>3<\/jats:bold>\n                    achieves inhibition potency in the submicromolar range (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u20090.534\u2009\u00b5M), whereas all the other test compounds proved to be moderate (\n                    <jats:bold>2<\/jats:bold>\n                    ) or weak (\n                    <jats:bold>1<\/jats:bold>\n                    ,\n                    <jats:bold>4<\/jats:bold>\n                    , and\n                    <jats:bold>5<\/jats:bold>\n                    ) inhibitors of ATX at 10\u2009\u00b5M concentration. These compounds, evaluated for the in vitro antiproliferative activity in four ATX\u2010expressing cancer cell lines, namely the ovarian cancer cell lines A2780 and SK\u2010OV\u20103, the breast cancer cells MCF\u20107, and immortalized mouse embryonic fibroblast cell line NIH\/3T3, demonstrated preliminary phenotypic effects, inhibiting cell proliferation with IC\n                    <jats:sub>50<\/jats:sub>\n                    values mostly in the low micromolar range. Compound\n                    <jats:bold>4<\/jats:bold>\n                    (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200911.5\u2009\u00b5M against SK\u2010OV\u20103) significantly reduced the motility of SK\u2010OV\u20103 ovarian carcinoma cells in the wound\u2010healing assay, suggesting that it may represent a hit structure for the development of potential antimetastatic agents.\n                  <\/jats:p>","DOI":"10.1002\/cmdc.70474","type":"journal-article","created":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T04:20:24Z","timestamp":1788236424000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Identification of New Putative Autotaxin Inhibitors via Structure\u2010Based Virtual Screening and Evaluation of Their Antiproliferative Properties Against Ovarian and Breast Cancer Cells"],"prefix":"10.1002","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9514-2022","authenticated-orcid":false,"given":"Angelina","family":"Boccarelli","sequence":"first","affiliation":[{"name":"Department of Precision and Regenerative Medicine and Ionian Area School of Medicine, Section of General Pathology University of Bari Aldo Moro  Bari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adriana","family":"Coricello","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze della Salute Universit\u00e0 \u201cMagna Gr\u00e6cia\u201d di Catanzaro  Catanzaro Italy"},{"name":"Dipartimento di Scienze Biomolecolari Universit\u00e0 degli Studi di Urbino \u201cCarlo Bo\u201d  Urbino Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4874-2946","authenticated-orcid":false,"given":"Francesca Alessandra","family":"Ambrosio","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze della Salute Universit\u00e0 \u201cMagna Gr\u00e6cia\u201d di Catanzaro  Catanzaro Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3368-5133","authenticated-orcid":false,"given":"Valentina","family":"Leo","sequence":"additional","affiliation":[{"name":"Department of Precision and Regenerative Medicine and Ionian Area School of Medicine, Section of General Pathology University of Bari Aldo Moro  Bari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-1882-5016","authenticated-orcid":false,"given":"Salvatore","family":"Mirabile","sequence":"additional","affiliation":[{"name":"Department of Chemical Biological, Pharmaceutical and Environmental Sciences University of Messina  Messina Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rosaria","family":"Gitto","sequence":"additional","affiliation":[{"name":"Department of Chemical Biological, Pharmaceutical and Environmental Sciences University of Messina  Messina Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Modesto","family":"de Candia","sequence":"additional","affiliation":[{"name":"Department of Pharmacy\u2010Pharmaceutical Sciences University of Bari Aldo Moro  Bari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8411-304X","authenticated-orcid":false,"given":"Marco","family":"Catto","sequence":"additional","affiliation":[{"name":"Department of Pharmacy\u2010Pharmaceutical Sciences University of Bari Aldo Moro  Bari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6235-8161","authenticated-orcid":false,"given":"Francesco","family":"Ortuso","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze della Salute Universit\u00e0 \u201cMagna Gr\u00e6cia\u201d di Catanzaro  Catanzaro Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5016-5805","authenticated-orcid":false,"given":"Cosimo D.","family":"Altomare","sequence":"additional","affiliation":[{"name":"Department of Pharmacy\u2010Pharmaceutical Sciences University of Bari Aldo Moro  Bari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0437-358X","authenticated-orcid":false,"given":"Stefano","family":"Alcaro","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze della Salute Universit\u00e0 \u201cMagna Gr\u00e6cia\u201d di Catanzaro  Catanzaro Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,8,31]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)45911-X"},{"key":"e_1_2_8_3_1","first-page":"525","article-title":"Autotaxin (ATX): A Multi\u2010Functional and Multi\u2010Modular Protein Possessing Enzymatic lysoPLD Activity and Matricellular Properties","volume":"1781","author":"Yuelling L. 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