{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,23]],"date-time":"2026-07-23T02:00:44Z","timestamp":1784772044820,"version":"3.55.0"},"reference-count":55,"publisher":"MDPI AG","issue":"14","license":[{"start":{"date-parts":[[2026,7,22]],"date-time":"2026-07-22T00:00:00Z","timestamp":1784678400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Int. J. Mol. Sci.","IJMS"],"abstract":"<jats:p>Cancer progression is driven by dysregulated kinase signaling and apoptotic evasion across multiple malignancies. Although targeted kinase inhibitors have improved outcomes, resistance and toxicity remain major challenges. Natural phytochemicals offer promising multi-target therapeutic potential. Persea americana contains diverse bioactive compounds; however, its role in multi-cancer kinase targeting remains underexplored. This study aimed to identify and validate anti-cancer kinase targets of Persea americana phytoconstituents across five cancers: lung, breast, cervical, colorectal, and prostate, using integrated network pharmacology and molecular simulation approaches. Cancer-associated genes were retrieved from the Open Targets Platform and prioritized through Gene Ontology analysis. Overlapping targets with 208 predicted human targets of Persea americana were identified. Protein\u2013protein interaction networks revealed hub genes, followed by TCGA-based validation. Twenty-five phytoconstituents were docked against SRC and GSK3\u03b2, and top complexes underwent 100 ns molecular dynamics simulations. Enrichment highlighted kinase activity and apoptosis. SRC emerged as a pan-cancer hub, while GSK3\u03b2 was prominent in breast cancer. Luteolin showed strongest binding to SRC (\u221211.9 kcal\/mol), outperforming the co-crystal inhibitor, while valencene showed affinity toward GSK3\u03b2 (\u22128.8 kcal\/mol). Simulations confirmed stable interactions. Luteolin exhibits strong multi-target kinase inhibition, particularly against SRC, supporting its potential as a pan-cancer therapeutic candidate.<\/jats:p>","DOI":"10.3390\/ijms27146534","type":"journal-article","created":{"date-parts":[[2026,7,23]],"date-time":"2026-07-23T01:01:28Z","timestamp":1784768488000},"page":"6534","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Integrated Network Pharmacology and Molecular Dynamics Reveal Luteolin from Persea americana as a Multi-Cancer SRC\/GSK3\u03b2 Inhibitor"],"prefix":"10.3390","volume":"27","author":[{"given":"Akey Krishna","family":"Swaroop","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Shri Vile Parle Kelavani Mandal\u2019s College of Pharmacy, Shirpur 425421, MH, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9162-5553","authenticated-orcid":false,"given":"Bharat Kumar Reddy","family":"Sanapalli","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, School of Pharmacy & Technology Management, SVKM\u2019s Narsee Monjee Institute of Management Studies (NMIMS) Deemed-to-be-University, Jadcherla 509301, TS, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4633-6621","authenticated-orcid":false,"given":"Jubie","family":"Selvaraj","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research, The Nilgiris, Ooty 643001, TN, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7286-0128","authenticated-orcid":false,"given":"Dilep Kumar","family":"Sigalapalli","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Washington, Seattle, WA 98195, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7532-9578","authenticated-orcid":false,"given":"Ramya","family":"Tokala","sequence":"additional","affiliation":[{"name":"Department of Radiology, Athinoula A. Martinos Center for Biomedical Imaging, Massachusetts General Hospital and Harvard Medical School, Charlestown, MA 02129, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8298-1161","authenticated-orcid":false,"given":"Vidyasrilekha","family":"Sanapalli","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, School of Pharmacy & Technology Management, SVKM\u2019s Narsee Monjee Institute of Management Studies (NMIMS) Deemed-to-be-University, Jadcherla 509301, TS, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,7,22]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2071","DOI":"10.3332\/ecancer.2026.2071","article-title":"The Global Cancer Crisis: A Review of Growing Burden, Deepening Inequality and Initiatives for Prevention and Early Detection","volume":"20","author":"Balch","year":"2026","journal-title":"Ecancermedicalscience"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"663","DOI":"10.1038\/s41571-021-00514-z","article-title":"Planning for Tomorrow: Global Cancer Incidence and the Role of Prevention 2020\u20132070","volume":"18","author":"Soerjomataram","year":"2021","journal-title":"Nat. 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