1Principle Shri Ram Institute of Pharmacy, Jabalpur
2Associate Professor Shri Ram Institute of Pharmacy, Jabalpur
3Student Shri Ram Institute of Pharmacy, Jabalpur
Objective: Alzheimer disease (AD) is a progressive neurodegenerative condition. Acetylcholine (Ach), a neurotransmitter that is essential for many cognitive and neuropsychiatric function, is significantly reduced is AD patient’s brains. Method: In the present insilico study, 43 bioactive compounds of Eburnane type of Natural bioactive alkaloids were analyzed for their inhibitory role on Acetylcholinesterase (AChE) activity by applying the molecular docking studies. Other parameters viz. protein-ligand interactions, determination of molecular interaction-based binding affinity values, Lipinski rule of five, functional properties and biological activities for the above compounds were also calculated by employing the appropriate bioinformatics tools. Result: The results of docking analysis clearly showed that 13 chemical molecules model Out of 43 model shows the more binding affinity but molecule 4ey7_A11 has highest binding affinity with AChE (-11.9 kcal/mole) has least percentage activity on AD and neurodegenerative disease. Whereas, the 4ey7_A35 has been second qualified binding affinity (-10.9 kcal/mol). Conclusion: We have determined that 4ey7_A11 is the best molecular fit to investigate further for the treatment of AD based on docking results.
Reetesh Yadav, Shagun Upadhyay, Aman Agrawal, In Silico Studies - Molecular Docking Of Novel Alkaloids As Potential Candidates For Treatment Of Alzheimer Diseases, Int. J. of Pharm. Sci., 2024, Vol 2, Issue 1, 633-652. https://doi.org/10.5281/zenodo.10569078
10.5281/zenodo.10569078
