Molecular Modeling Studies Approach Against Enzymes Causing Alzheimer’s Disease Using Hancorniaspeciosa Linn By Molecular Docking And Molecular Dynamics Simulations Techniques

Abstract

Alzheimer's disease affects fifty million people globally, with four million living in India. According to research, the APOE4 gene plays a significant role in the disease's development. The docking structures with the lowest docking energies were examined for protein stability and complex motion using molecular dynamic modelling. The moles server (http://imods.chaco nlab.org) was used to run the molecular dynamics simulation. Investigating such modes is made simpler by iMODS. The 3D interaction of the DNA gyrase and 14-alpha sterol demethylase inhibitor with squash and kunitz receptor and ligand complexes.The prospective use of these drugs against acetylcholinesterase and beta-secretase in therapy might be extremely beneficial. Further research might provide useful information into the efficacy of these drugs in vivo. Natural chemicals may have a synergistic effect on Alzheimer's disease, according to research.