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Combinatorial Chemistry & High Throughput Screening

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ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

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Research Article

A Nanoinformatics Approach to Evaluate the Pharmacological Properties of Nanoparticles for the Treatment of Alzheimer’s Disease

Author(s): Muhammad Zohaib Nawaz, Syed Awais Attique , Qurat-ul-Ain, Fahdah Ayed Alshammari , Heba Waheeb Alhamdi , Huda Ahmed Alghamdi * and Wei Yan*

Volume 25, Issue 4, 2022

Published on: 17 February, 2021

Page: [730 - 737] Pages: 8

DOI: 10.2174/1386207324666210217145733

Price: $65

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Abstract

Background: Alzheimer’s disease is a destructive nervous system disease which causes structural, biochemical and electrical abnormalities inside the human brain and results due to genetic and various environmental factors. Traditional therapeutic agents of Alzheimer’s disease such as tacrine and physostigmine have been found to cause adverse effects to the nervous system and gastrointestinal tract. Nanomaterials like graphene, metals, carbon-nanotubes and metal-oxides are gaining attention as potential drugs against Alzheimer’s disease due to their properties such as large surface area, which provide clinical efficiency, targeted drug designing and delivery.

Objectives: Designing new drugs by using experimental approaches is a time-consuming, tedious and laborious process which also requires advanced technologies. This study aims to identify some novel drug candidates against Alzheimer’s disease with no or less associated side effects using molecular docking approaches

Methods: In this study, we utilized nanoinformatics based approaches for evaluating the interaction properties of various nanomaterials and metal nanoparticles with the drug targets, including TRKB kinase domain, EphA4 and histone deacetylase. Furthermore, the drug-likeness of carbon nanotubes was confirmed through ADME analysis.

Results: Carbon nanotubes, either single or double-walled in all the three-configurations, including zigzag, chiral, and armchair forms, are found to interact with the target receptors with varying affinities

Conclusion: This study provides novel and clearer insights into the interaction properties and drug suitability of known putative nanoparticles as potential agents for the treatment of Alzheimer’s disease.

Keywords: Alzheimer’s disease, nanomaterials, molecular docking, drug likeness, pharmacological properties

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