Covalent Gelatin‐Cyclodextrin Nanocarrier Systems for Pistacia atlantica Essential Oil: Physicochemical Characterization, Antioxidant Activity, and Molecular Docking Studies

ABSTRACT Essential oil from Pistacia atlantica gum is rich in bioactive terpenes but limited by volatility and poor stability. Here, a chemically integrated nanogel system was developed by covalent conjugation of carboxymethyl‐β‐cyclodextrin (CM‐β‐CD) to gelatin (CNG), followed by supramolecular stabilization with Tween 20 (CNGT) for essential oil encapsulation (CNGTO) using O/W emulsification and freeze‐drying. Two formulations with different loadings were prepared: CNGTO(1) (46.5%) and CNGTO(2) (56.5%). Dynamic light scattering revealed mean particle sizes ranging from 176.3 nm (CNG) to 693 nm (CNGTO(2)), depending on formulation and oil content. Encapsulation efficiencies reached 77.5% ± 1.4% and 81.4% ± 1.7% for CNGTO(1) and CNGTO(2), respectively. Encapsulation reduced the release rate compared to free oil, showing a biphasic release profile over 96 h. Although total antioxidant capacity of encapsulated samples (128.4–145.2 µg ascorbic acid equivalents g −1 ) was slightly lower than free oil (166.8 µg g −1 ), DPPH radical scavenging activity was enhanced. Total phenolic content reflected contributions from both oil and matrix. Four‐week storage studies demonstrated improved physicochemical and antioxidant stability. Molecular docking analysis using α‐pinene (33.65%, GC‐MS) provided mechanistic insight into terpene–cyclodextrin interactions within the hybrid matrix and the structural role of Tween 20 in modulating inclusion behavior.