Determination of Candidate Alternative Plant Actives for Dementia and Alzheimer’s Disease Proteins through Docking Studies

Alzheimer's disease (AD) is a common type of dementia, which is a progressive brain disorder causing memory, thought and behavioral issues. Effective therapeutic treatments for AD and/or Dementia have not yet been developed. In this study select transcriptomic datasets were analyzed and disease proteins that comply with selection criteria were identified. These proteins were then docked with Donepezil, Galantamine, Memantine and Rivastigmine drugs as well as Thymus cilicius, Melissa officinalis, Salvia sclarea, Linum usitatissimum and Curcuma longa plant actives. Resulting binding energy values for mutant proteins are significantly different from wild type, especially in MET (MET proto-oncogene, receptor tyrosine kinase) (PDB ID: 3ZXZ). The plant actives showed notable Relative Stability values when docked with wild type proteins in comparison to drug molecules. To conclude, Alpha-Muurolene, Alpha-Atlantone, Alpha-Cadinene, BetaBourbonene, Beta-Cubebene and Germacrene-D as candidate alternative plant actives have been suggested for these diseases.