Neuraminidase as a novel therapeutic management strategy for Alzheimer's disease: evidenced through molecular docking, molecular dynamic simulation and gene expression analysis.

ABSTRACT:

Introduction

Neuraminidase in humans is studied to see how well repurposed oseltamivir works for treating Alzheimer's disease (AD) using methods like molecular docking, molecular dynamic (MD) simulation, and gene expression analysis. Gene enrichment analysis was also studied to understand the behaviour of neuraminidases in humans.

Methods

Molecular docking was done using oseltamivir and the neuraminidase proteins with the PyRx tool, and the results were analysed using BIOVIA Discovery Studio. MD simulation (50 ns) of the oseltamivir and neuraminidase complex was performed using GROMACS tools. The gene expression analysis and gene enrichment study were done using GEO2R, which showed the results as log FC and significant values. Enricher tool-based gene enrichment analy

SUBMITTER: Alzarea SI 

PROVIDER: S-EPMC12163420 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature