{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T07:09:43Z","timestamp":1790838583816,"version":"4.1.0"},"reference-count":53,"publisher":"Public Library of Science (PLoS)","issue":"4","license":[{"start":{"date-parts":[[2025,4,7]],"date-time":"2025-04-07T00:00:00Z","timestamp":1743984000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"abstract":"<jats:p>Canonical Wnt signaling plays a key role in tumor cell proliferation which correlates with the accumulation of \u03b2-catenin resulting inactivation of the network of targets such as GSK3\u03b2, Axin, CK1. Uncontrolled expression of \u03b2-catenin leads to different types of cancers and other diseases such as sarcoma and mesenchymal tumor formation. However, \u03b2-catenin is an attractive target for cervical cancer. In the present study, the compounds such as Doxorubicin and Zinc conjugated with Doxorubicin were screened against \u03b2-catenin using Molecular Docking, Molecular Dynamics Simulation, MM\/GBSA, and DFT approaches to explore their insights. The study further demonstrated that the binding energy of Zn conjugated with Doxorubicin has shown -7.2 kcal\/mol and Doxorubicin registers -5.9 kcal\/mol against \u03b2-catenin. The disruption between the \u03b2-catenin\/Tcf-4 complex was observed through the Zinc-Doxorubicin complex, both the proteins are separated about 12 \u00c5. The Zn-Doxorubicin was stabilized with the hydrophobic residues such as Val349 of \u03b2-catenin and Phe21 of Tcf-4. The DFT analysis using the B3LYP\/6-31g(d,p) method explores that Zn-doxorubicin in complex with the binding site residues has shown the HOMO-LUMO gap of 2.55\u2009eV. The binding free energy calculations exhibit the Zn conjugated Doxorubicin favors in the study by showing ~\u20093 kcal\/mol difference with Doxorubicin. The Zn-conjugated Doxorubicin will be discussed in the context of cervical cancer with the hope of improving drug efficacy and reducing toxicities for the betterment of the patient\u2019s quality of life.<\/jats:p>","DOI":"10.1371\/journal.pone.0316665","type":"journal-article","created":{"date-parts":[[2025,4,7]],"date-time":"2025-04-07T21:43:56Z","timestamp":1744062236000},"page":"e0316665","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":3,"title":["Induction of zinc conjugated with Doxorubicin for the prevention of aggregating \u03b2-catenin in the Wnt signaling pathway investigated through computational 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