{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,17]],"date-time":"2025-10-17T00:15:19Z","timestamp":1760660119034,"version":"build-2065373602"},"reference-count":32,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2025,2,18]],"date-time":"2025-02-18T00:00:00Z","timestamp":1739836800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["iubmb.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Biotech and App Biochem"],"published-print":{"date-parts":[[2025,10]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>The role of C\u2010X\u2010C chemokine receptor type 4 (CXR\u20104) in chemotherapy resistance remains crucial in promoting proliferation, invasion, and progression in acute myeloid leukemia (AML) cells. This study aims to screen and investigate a potential lead candidate as a therapeutic agent targeting CXCR\u20104 in AML cells. Diversity\u2010based virtual screening process using AutoDock\u2010Vina was employed to screen approximately 850,000 compounds from the ChemBridge\u2010small molecule database. The binding stability and dynamics were investigated through GROMACS\u2010based molecular dynamics simulations and root mean square deviation (RMSD). AML cells (THP\u20101, HL\u201060, and SKM\u20101 cell lines) were used to assess proliferation CXCR\u20104 expression, and apoptosis induction was measured using flow cytometry and <jats:italic>trans<\/jats:italic>\u2010endothelial migration was assessed using calorimetric method in AML cells. The absorption, distribution, metabolism, and excretion (ADME) properties were predicted using SwissADME server. The computational evaluations revealed SSB\u20102548 as a lead candidate that binds stably to CXCR\u20104. Molecular dynamics simulations provided detailed insights into the conformational changes of the SSB\u20102548\/CXCR\u20104 complex. The compound inhibited the THP\u20101, HL\u201060, and SKM\u20101 cell proliferations with GI<jats:sub>50<\/jats:sub> values of 84.57, 41.30, and 120.50\u00a0nM, respectively. SSB\u20102548 decreased the <jats:italic>trans<\/jats:italic>\u2010endothelial migration and CXCR\u20104 expression in while inducing early and late phase apoptosis in all three AML cell types. ADME predictions indicated a favorable lead\u2010likeness, gastrointestinal absorption, and lack of notable toxicity. Computational assessments identified SSB\u20102548 as a novel CXCR\u20104 inhibitor. In vitro evaluations proved this lead compound effective against AML cells. These findings lay the groundwork for future, investigations positioning SSB\u20102548 as a candidate for the development of targeted therapies against AML.<\/jats:p>","DOI":"10.1002\/bab.2726","type":"journal-article","created":{"date-parts":[[2025,2,18]],"date-time":"2025-02-18T08:59:57Z","timestamp":1739869197000},"page":"1174-1183","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["SSB\u20102548 Inhibits CXCR\u20104 Activation, Inducing Apoptosis in Acute Myeloid Leukemia Cells"],"prefix":"10.1002","volume":"72","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6248-8983","authenticated-orcid":false,"given":"Ayed A.","family":"Dera","sequence":"first","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences King Khalid University  Abha Saudi 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