eng Oriental Scientific Publishing Company Biosciences Biotechnology Research Asia 0973-1245 2026-03-30 23 1 318 334 10.13005/bbra/3500 58546 article Anerao Abhishek Parmeshwar 1 Rohit Jaysing Bhor 1 Shweta Vijaykant Bairagi 1 Sahil Babasaheb Jadhav 1 Arati Dattatray Jadhav 1 Aniket Kakasaheb Jadhav 1 Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, India. Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, memory impairment, and neuronal loss, for which current therapies offer only symptomatic relief. In this context, the present study investigates the neuroprotective potential of selected phytochemical constituents from Mucuna pruriens (Kapikachu) and Ginkgo biloba using an integrated in silico approach involving molecular docking, physicochemical profiling, and ADME analysis. Molecular docking studies were performed against two key AD-related targets, acetylcholinesterase (AChE; PDB ID: 1EVE) and β-secretase (BACE-1; PDB ID: 1TQF), to evaluate binding affinity and interaction patterns. The results demonstrated that phytochemicals from Ginkgo biloba, particularly biflavonoids such as ginkgetin, bilobetin, and sciadopitysin, exhibited significantly stronger binding affinities toward both targets compared to constituents of Mucuna pruriens. In contrast, Kapikachu-derived compounds showed moderate interactions, suggesting a supportive role in cholinergic modulation and neuroprotection rather than direct enzyme inhibition. Overall, the integration of docking performance with pharmacokinetic evaluation highlights Ginkgo biloba as a promising source of multitarget lead compounds for Alzheimer’s disease therapy, while reinforcing the complementary neuroprotective value of Mucuna pruriens. The findings provide a strong theoretical basis for further experimental validation and lead optimization. https://www.biotech-asia.org/vol23no1/exploring-neuroprotective-phytochemicals-from-mucuna-pruriens-and-ginkgo-biloba-for-alzheimers-disease-a-molecular-docking-and-adme-study/ Alzheimer’s disease; ADME analysis; Ginkgo biloba; Molecular docking; Mucuna pruriens