Aim: Alzheimer's disease causes dementia which impairs the cognitive domains. Methodology: The pharmacokinetic characteristics and biological activity of echinocystic acid are predicted in this work using in silico or computational approaches, including pkCSM, Swiss ADME, OSIRIS® property explorer, PASS online web resource and MOLINSPIRATION® software. Results & discussion: The compound has lipid metabolism regulating property as major role in decreasing the progression of Alzheimer's disease and it has no major side effects and ADR. The drug also has anti-inflammatory properties which can help in regulating the innate immunity that plays a major role in Alzheimer's disease. Conclusion: From the computational screening, we infer that, echinocystic acid can regulate memory loss, cognitive disability and also slow down the progression of Alzheimer's disease-like pathology.
Keywords: Alzheimer's disease; anti-inflammatory; echinocystic acid; in silico; lipid metabolism.
Alzheimer's disease (AD) is a neurodegenerative disease that is characterized by β-amyloid (Aβ) plaque deposition and neurofibrillary tangles of hyperphosphorylated tau. There is no treatment to completely cure AD and dementia but the progression of the disease can be slowed down and the major symptoms can be treated. Various online servers and web resources were employed in this study. The use of online and offline tools for the prediction and evaluation of the various drug properties and parameters have led to evidential conclusion of the study. The calculated binding affinities for all of the designed compounds range from -1.5 to -6.0 kcal/mol-1, while few receptors showed positive binding affinity indicating less binding with receptor. From the in silico study performed we infer that echinocystic acid can regulate memory loss, cognitive disability and slow down the progression of Alzheimer's disease like pathology.
© 2023 The Authors.