Encapsulation of apo human alpha-lactalbumin (α-LA) within oleic acid (OA) attains similar morphology as SNARE’s, which forms human α-lactalbumin-oleic acid (HALOA) complex by altering the methodology from previous studies. Firstly the native α-LA was treated with EDTA to remove Ca2+ ions (ICP-OES, and Arsenazo III) which leads to unfolding for maintenance of an apo structure, and was directly mixed with OA in a specific ratio. Further, the structural variations from apo to the complex were elucidated by circular dichroism (far UV-CD; 190-260 nm and near UV-CD; 260-340 nm) which shows that it consists of a majority of turns and β-sheet structure. ANS (1-anilino-8-naphthalene sulfonate) dye shows maximum fluorescence intensity because it strongly binds with the complex due to the availability of hydrophobic patches. The masking effect of OA was validated by SDS-PAGE where no band was found in a complex lane, which is also confirmed by NMR spectroscopy that indicates a loss in NMR signal in HALOA complex after regulated addition of OA. The HALOA complex was further confirmed by TEM where it shows a range around 500 nm which is structurally and morphologically similar to SNARE’s. This new structural variant complex offers antitumor activity on K562 cells by rectifying molecular domains (IL-8, Survivin, and Total antioxidant) and induces apoptosis by DNA fragmentation, but it does not show any apoptotic activity against NIH cells. Overall the formulated complex shows SNARE’s like behavior, and it might be a promising candidate as an antitumor agent with lower toxicity and maximum bioavailability.