Integration of System Biology Tools to Investigate Huperzine A as an Anti-Alzheimer Agent.

ABSTRACT: Aim: The present study aimed to investigate huperzine A as an anti-Alzheimer agent based on the principle that a single compound can regulate multiple proteins and associated pathways, using system biology tools. Methodology: The simplified molecular-input line-entry system of huperzine A was retrieved from the PubChem database, and its targets were predicted using SwissTargetPrediction. These targets were matched with the proteins deposited in DisGeNET for Alzheimer disease and enriched in STRING to identify the probably regulated pathways, cellular components, biological processes, and molecular function. Furthermore, huperzine A was docked against acetylcholinesterase using AutoDock Vina, and simulations were performed with the Gromacs package to take into account the dyna

SUBMITTER: Khanal P 

PROVIDER: S-EPMC8710610 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature