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In this study, bis-thiourea derivatives were investigated for their Topo II\u03b1 inhibitory activity and anticancer potential using in silico and in vitro studies. Molecular modeling demonstrated that compound 8 exhibited favorable binding affinity and stability within the ATPase domain of Topo II\u03b1. Biochemical assays revealed that compound 8 inhibited Topo II\u03b1 activity and showed potent cytotoxicity against several cancer cell lines, particularly A549 cells. Mechanistic studies showed that compound 8 inhibited A549 cell migration and invasion by upregulating E-cadherin while downregulating the mesenchymal markers N-cadherin and vimentin, as well as the EMT-associated transcription factor Slug. Furthermore, compound 8 induced G1-phase arrest by downregulating cyclins D1 and E2 while upregulating p21. These results suggest that compound 8 represents a promising lead for Topo II\u03b1-targeted cancer therapy.<\/jats:p>","DOI":"10.1021\/acsomega.5c11354","type":"journal-article","created":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T16:02:30Z","timestamp":1786636950000},"page":"48857-48868","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of Bis-Thiourea\nDerivatives as Human DNA\nTopoisomerase II\u03b1 Inhibitors with Potent Anticancer Effects"],"prefix":"10.1021","volume":"11","author":[{"given":"Sahachai","family":"Sabuakham","sequence":"first","affiliation":[{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarunya","family":"Kitdumrongthum","sequence":"additional","affiliation":[{"name":"Mahidol University , , ,","place":["Nakhon Pathom, Thailand, 73170"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sutita","family":"Nasoontorn","sequence":"additional","affiliation":[{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chaiwat","family":"Monmai","sequence":"additional","affiliation":[{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chutima","family":"Talabnin","sequence":"additional","affiliation":[{"name":"Suranaree University of Technology , , ,","place":["Nakhon Ratchasima, Thailand, 30000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Norie","family":"Araki","sequence":"additional","affiliation":[{"name":"Kumamoto University , , ,","place":["Kumamoto, Japan, 860-8556"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5777-3843","authenticated-orcid":true,"given":"Atit","family":"Silsirivanit","sequence":"additional","affiliation":[{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]},{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thanyada","family":"Rungrotmongkol","sequence":"additional","affiliation":[{"name":"Chulalongkorn University , , ,","place":["Bangkok, Thailand, 10330"]},{"name":"Chulalongkorn University , , ,","place":["Bangkok, Thailand, 10330"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Arthit","family":"Chairoungdua","sequence":"additional","affiliation":[{"name":"Mahidol University , , ,","place":["Bangkok, Thailand, 10400"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4977-5854","authenticated-orcid":true,"given":"Ratchanok","family":"Pingaew","sequence":"additional","affiliation":[{"name":"Srinakharinwirot University , , ,","place":["Bangkok, Thailand, 10110"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4389-334X","authenticated-orcid":true,"given":"Panupong","family":"Mahalapbutr","sequence":"additional","affiliation":[{"name":"Khon Kaen University , , ,","place":["Khon Kaen, Thailand, 40002"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,13]]},"reference":[{"issue":"3","key":"2026083119141873200_cit1","doi-asserted-by":"publisher","first-page":"901","DOI":"10.1016\/j.ejmech.2011.01.001","article-title":"Synthesis and evaluation\nof aroylthiourea derivatives of 4-\u03b2-amino-4\u2032-O-demethyl-4-desoxypodophyllotoxin\nas novel topoisomerase II inhibitors","volume":"46","author":"Zhao","year":"2011","journal-title":"Eur. 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