Integrated physicochemical, structural, and in silico analyses revealed the enhanced functional potential of processed proso millet (Panicum miliaceum).

Proso millet (Panicum miliaceum) contains anti-nutritional factors such as phytates, tannins, and enzyme inhibitors that limit nutrient bioavailability; however, appropriate processing techniques effectively reduce these constraints. This study evaluates the effects of milling, soaking, parboiling, and popping on the physicochemical, functional, and structural properties of proso millet, along with in silico analysis of its bioactive compounds. Processing significantly influenced functional properties, with water absorption capacity observed highest in parboiling (41.31±0.03%), followed by soaking (23.79±0.01%), popping (22.02±0.08%), and milling (18.05±0.01%). In contrast, oil absorption capacity was highest in milling (18.21±0.08%), followed by popping (17.9±0.05%), parboiling (14.96±0.07%), and soaking (14.01±0.07%). Phenolic content ranged from 0.51±0.004 to 0.56±0.0047, with the highest value in parboiling, while tannin content varied slightly (0.07-0.09 mg/g). Antioxidant activity (DPPH) was highest in soaking (9.97±0%), followed by popping (9.0±0.006%), milling (7.54±0%), and parboiling (6.81±0.006%). FTIR and SEM analysis revealed structural modifications, including starch gelatinization and protein denaturation, particularly in parboiled and popped samples. In silico studies showed strong binding affinity of palmitic acid with human pancreatic α-amylase (-7.2 kcal/mol) and yamogenin with pancreatic lipase (-6.8 kcal/mol), supported by stable RMSF and NMA profiles. Statistical analysis confirmed significant differences among treatments (p<0.05). Overall, processing enhanced the functional and nutritional quality of proso millet, supporting its potential in functional food development.