Alzheimer's disease (AD) is a neuronal disorder associated with dementia and EphB2 gene play a crucial role in the NMDA signaling pathway helping to restore cognitive functions. Therefore, attempt has been made to study the pharmacogenomics of the gene to identify the individual variations by the functional effect of Single Nucleotide Polymorphisms (SNPs). Out of the 4997 SNPs, 9 SNPs were found to be damaging in nature with deleterious amino acid substitutions. Computer Aided Drug Designing (CADD) was instrumental to find out the effective constituent among the plant sources, Withania somnifera, Centella asiatica, Catharanthus roseus, Curcuma longa and Bacopa monnieri with Anti-Alzheimer Activity. The corresponding 21 plant constituents analyzed were Withanolide E, Withanolide A, Withanoside IV, Withaferine A, Anaferine, Beta-Sitosterol, Quercetin, Asiatic acid, Asiaticoside, Campesterol, Madecassoside, Madecassic acid, Vincristine, Vincamine, Vinblastine, Catharanthine, Kaempferol, Curcumin, Ascorbic acid, Linalool and Bacoside A. Molecular property, bioactivity parameter as well as Protein-Ligand Dynamic interaction were analyzed to determine the drug likeness of the selected constituents. Bench marking were done using an antioxidant Butylated hydroxytoluene (BHT). The in silico analysis performed indicate the selection of natural compounds like Withanoside IV, Asiaticoside, Madecassoside, Vincristine, Vinblastine and Bacoside A to show significant binding interaction with 1B4F protein.
Asha Asokan Manakadan, .T.S, S., S, S. K., and J, C., “A Computational In silico Approach for Identification of Indian Herbs for the Treatment of Alzheimer's Disease”, Research Journal of Pharmaceutical, Biological and Chemical Sciences, vol. 6, no. 1, pp. 414-422, 2015.