Clove Constituents as new leads for the Design and development of Multi-targeted Anti-Alzheimer activity

Abstract

Objective: To use virtual screening analysis to screen out the phytoconstituents of Syzygium aromaticum against multiple targets of AD and determine its anti-oxidant and inflammatory inhibitory property. Methods: The compounds listed out from Syzygium aromaticum were subjected to virtual screening based on their drug likeness property and bioactivity scores. The molecular docking simulation such as HEX 8.0, PyRx, MVD along with Auto Dock 4.2 were employed to determine the potential candidate for providing activity against multiple targets of AD. The toxicity estimation was also carried out using TEST software. The potential candidate was further evaluated using DPPH, FRAT, Albumin denaturation and Proteinase inhibition method. Results: Only eight phytoconstituents were selected for virtual screening as they possessed drug likeness property and better bioactivity score for inhibition of kinases, proteases and enzymes. The docking results from various tools predicted that Oleanolic acid can be considered as potential constituents for multi-target action against AD. Toxicity estimation was in range. It also exhibited anti-oxidant and inflammatory inhibition providing its evidence for anti-AD activity. Conclusion: Taken together, these virtual screening results and in-vitro assays suggest that Oleanolic acid has multi target action against AD, which can be proved further with in-vivo studies.