Molecular Docking Analysis of D-Glucosamine and Rivastigmine Tartrate Targeting Alzheimer’s Disease-Associated Proteins: An In Silico Approach
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Abstract
Aims: The primary aim of this study is to investigate the potential interactions of D-glucosamine and rivastigmine
tartrate with key receptors associated with Alzheimer’s disease (AD) using in silico docking analysis. By
utilizing the Glide software, the study seeks to explore the binding affinities of these compounds with targets
such as acetylcholinesterase (AChE), microglia, astrocytes, and the sigma-1 receptor, aiming to identify potential
therapeutic implications. Objectives: The objectives of this study are to conduct a comprehensive molecular
docking analysis of D-glucosamine and rivastigmine tartrate using the Glide software to evaluate their binding
interactions with key Alzheimer’s disease (AD)-associated receptors. Specifically, the study aims to assess the
binding affinities of these compounds with acetylcholinesterase (AChE), microglia, astrocytes, and the sigma-1
receptor. By comparing the docking scores, the research seeks to determine the relative binding strengths of
D-glucosamine and rivastigmine tartrate with each target receptor. Additionally, the study aims to analyze the
versatility and potential therapeutic relevance of these compounds in interacting with diverse AD-related receptors,
providing insights into their potential roles in AD treatment. Conclusion: The in silico docking analysis revealed
that rivastigmine tartrate exhibits stronger binding to the primary target enzyme AChE compared to D-glucosamine.
Both compounds showed comparable binding potential for microglia. D-glucosamine demonstrated lower docking
scores for astrocytes, while rivastigmine tartrate showed higher affinity for the sigma-1 receptor. These findings
highlight the diverse interactions of D-glucosamine and rivastigmine tartrate with AD-associated receptors,
suggesting the need for further in vitro and in vivo studies to validate these results and explore their potential
therapeutic applications in Alzheimer’s disease treatment.
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