Alzheimer's disorder (AD) is associated with behavioural and cognitive destruction with due respect to the neurological degeneration. Conventional therapeutic approach for treatment of AD using neuroprotective drugs suffered certain limitations such as poor solubility, insufficient bioavailability, adverse side effects at higher dose and ineffective permeability on blood brain barrier (BBB). Development of nanomaterial based drug delivery system helped to overcome these barriers. Hence the present work focused on encapsulating neuroprotective drug citronellyl acetate within CaCO nanoparticles to develop neuroprotective CaCO nanoformulation (CA@CaCO NFs). CaCO was derived from marine conch shell waste, while the neuroprotective drug citronellyl acetate was scrutinized by in-silico high throughput screening. In-vitro findings revealed that CA@CaCO nanoformulation exhibited enhanced free radical scavenging activity of 92% (IC value - 29.27 ± 2.6 μg/ml), AChE inhibition of 95% (IC value - 25.6292 ± 1.5 μg/ml) at its maximum dose (100 μg/ml). CA@CaCO NFs attenuated the aggregation of β-amyloid peptide (Aβ) and also disaggregated the preformed mature plaques the major risk factor for AD. Overall, the present study reveals that CaCO nanoformulations exhibits potent neuroprotective potential when compared to the CaCO nanoparticles alone and citronellyl acetate alone due to the sustained drug release and synergistic effect of CaCO nanoparticles and citronellyl acetate depicting the fact that CaCO can act as promising drug delivery system for treatment of neurodegenerative and CNS related disorders.