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In this study, a novel multifunctional nanocomposite, CS\/M\/MIL, was engineered by integrating magnetite (M) nanoparticles and chitosan (CS) into a metal\u2013organic framework (MOF), MIL-100(Fe), using a modified hydrothermal method. This platform was utilized to encapsulate the anticancer drug epirubicin (EPR), achieving a remarkably high drug entrapment efficiency (EE) of 89.4%. Physicochemical characterization, including XRD and SEM, confirmed successful composite formation and structural integrity, with the modified CS\/M\/MIL showing a particle size increase to approximately 400\u00a0nm compared to the pristine MOF. Textural analysis revealed a transition from a highly microporous structure (BET surface area: 1804.68\u00a0m\n                    <jats:sup>2<\/jats:sup>\n                    \/g) to a hierarchical macroporous architecture (50.95\u00a0m\n                    <jats:sup>2<\/jats:sup>\n                    \/g) following functionalization. In vitro release kinetics demonstrated a pH-responsive behavior, with significantly accelerated drug release in acidic conditions (pH 5.0) simulating the acidic endo\/lysosomal compartments. Biological evaluations against MCF-7 breast cancer cells revealed that the EPR-loaded nanocomposite significantly enhanced therapeutic efficacy, yielding an IC\n                    <jats:sub>50<\/jats:sub>\n                    value of 7.57\u00a0\u00b5g\/mL. Furthermore, flow cytometric analysis confirmed that the system promotes substantial apoptosis (31.66%) and induces G2\/M phase cell cycle arrest. The significance and novelty of this work lie in the synergistic integration of magnetic responsiveness, biocompatible polymeric coating, and high-porosity MOF architecture into a single platform. Additionally, density functional theory (DFT) calculations provided unique mechanistic insights, identifying Fe\n                    <jats:sup>3+<\/jats:sup>\n                    coordination and hydrogen bonding as the primary drivers for the high affinity between EPR and the nanocarrier. These findings position CS\/M\/MIL as a superior, targeted carrier for anthracycline-type drugs, offering a pathway to improved clinical outcomes with reduced systemic side effects.\n                  <\/jats:p>","DOI":"10.1038\/s41598-026-56989-2","type":"journal-article","created":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T06:34:45Z","timestamp":1783406085000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["MIL-100(Fe)-Magnetite-Chitosan nanocomposite for targeted EPR delivery: synthesis, characterization, and DFT insights"],"prefix":"10.1038","volume":"16","author":[{"given":"Ahmed S.","family":"Abdel-Bary","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kholoud K.","family":"Arafa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mostafa Y.","family":"Nassar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed M.","family":"El-Nahas","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dina A.","family":"Tolan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Reem K.","family":"Arafa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,7,7]]},"reference":[{"key":"56989_CR1","doi-asserted-by":"publisher","first-page":"102217","DOI":"10.1016\/j.jddst.2020.102217","volume":"61","author":"CR Quijia","year":"2021","unstructured":"Quijia, C. 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