Title:A Nanoinformatics Approach to Evaluate the Pharmacological Properties
of Nanoparticles for the Treatment of Alzheimer’s Disease
Volume: 25
Issue: 4
Author(s): Muhammad Zohaib Nawaz, Syed Awais Attique , Qurat-ul-Ain, Fahdah Ayed Alshammari , Heba Waheeb Alhamdi , Huda Ahmed Alghamdi *Wei Yan*
Affiliation:
- Department of Biology, College of Sciences, King Khalid University, Abha 61413, Saudi Arabia
- Department of Marine Science, College of Marine Science and Technology, China University of Geosciences, Wuhan, China
Keywords:
Alzheimer’s disease, nanomaterials, molecular docking, drug likeness, pharmacological properties
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.