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Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[2024,5,7]]},"abstract":"<jats:p>\n                    EPH receptors (EPHs), the largest family of tyrosine kinases, phosphorylate downstream substrates upon binding of ephrin cell surface\u2013associated ligands. In a large cohort of endometriotic lesions from individuals with endometriosis, we found that\n                    <jats:italic>EPHA2<\/jats:italic>\n                    and\n                    <jats:italic>EPHA4<\/jats:italic>\n                    expressions are increased in endometriotic lesions relative to normal eutopic endometrium. Because signaling through EPHs is associated with increased cell migration and invasion, we hypothesized that chemical inhibition of EPHA2\/4 could have therapeutic value. We screened DNA-encoded chemical libraries (DECL) to rapidly identify EPHA2\/4 kinase inhibitors. Hit compound, CDD-2693, exhibited picomolar\/nanomolar kinase activity against EPHA2 (K\n                    <jats:sub>i<\/jats:sub>\n                    : 4.0 nM) and EPHA4 (K\n                    <jats:sub>i<\/jats:sub>\n                    : 0.81 nM). Kinome profiling revealed that CDD-2693 bound to most EPH family and SRC family kinases. Using NanoBRET target engagement assays, CDD-2693 had nanomolar activity versus EPHA2 (IC\n                    <jats:sub>50<\/jats:sub>\n                    : 461 nM) and EPHA4 (IC\n                    <jats:sub>50<\/jats:sub>\n                    : 40 nM) but was a micromolar inhibitor of SRC, YES, and FGR. Chemical optimization produced CDD-3167, having picomolar biochemical activity toward EPHA2 (K\n                    <jats:sub>i<\/jats:sub>\n                    : 0.13 nM) and EPHA4 (K\n                    <jats:sub>i<\/jats:sub>\n                    : 0.38 nM) with excellent cell-based potency EPHA2 (IC\n                    <jats:sub>50<\/jats:sub>\n                    : 8.0 nM) and EPHA4 (IC\n                    <jats:sub>50<\/jats:sub>\n                    : 2.3 nM). Moreover, CDD-3167 maintained superior off-target cellular selectivity. In 12Z endometriotic epithelial cells, CDD-2693 and CDD-3167 significantly decreased EFNA5 (ligand) induced phosphorylation of EPHA2\/4, decreased 12Z cell viability, and decreased IL-1\u03b2-mediated expression of prostaglandin synthase 2 (\n                    <jats:italic>PTGS2<\/jats:italic>\n                    ). CDD-2693 and CDD-3167 decreased expansion of primary endometrial epithelial organoids from patients with endometriosis and decreased Ewing\u2019s sarcoma viability. Thus, using DECL, we identified potent pan-EPH inhibitors that show specificity and activity in cellular models of endometriosis and cancer.\n                  <\/jats:p>","DOI":"10.1073\/pnas.2322934121","type":"journal-article","created":{"date-parts":[[2024,5,3]],"date-time":"2024-05-03T13:38:32Z","timestamp":1714743512000},"update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":23,"title":["Identification of potent pan-ephrin receptor kinase inhibitors using DNA-encoded chemistry technology"],"prefix":"10.1073","volume":"121","author":[{"given":"Chandrashekhar","family":"Madasu","sequence":"first","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7198-2182","authenticated-orcid":false,"given":"Zian","family":"Liao","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"},{"name":"Department of Molecular and Human Genetics, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sydney E.","family":"Parks","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1988-389X","authenticated-orcid":false,"given":"Kiran L.","family":"Sharma","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3183-4118","authenticated-orcid":false,"given":"Kurt M.","family":"Bohren","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3812-3001","authenticated-orcid":false,"given":"Qiuji","family":"Ye","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9680-4614","authenticated-orcid":false,"given":"Feng","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"},{"name":"Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4916-6565","authenticated-orcid":false,"given":"Murugesan","family":"Palaniappan","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi","family":"Tan","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"},{"name":"Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fei","family":"Yuan","sequence":"additional","affiliation":[{"name":"Department of Pathology and Immunology, Baylor College of Medicine, Houston, TX 77030"},{"name":"Center for Drug Discovery, Baylor College of Medicine, Houston, TX 77030"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chad J.","family":"Creighton","sequence":"additional","affiliation":[{"name":"Dan L. 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