Molecular Dynamics of the Pyridoxine Derivative in the Acetylcholinesterase Active Cavity.

摘要

ABSTRACT Acetylcholinesterase (AChE) is a key enzyme in central nervous system, responsible for the regulation of nerve impulse transmission through the rapid hydrolysis of the acetylcholine neurotransmitter. In recent years, the issue of AChE specific interaction with ligands to regulate its activity becomes more and more popular. In particular, it is necessary to develop specific AChE inhibitors - potential new drugs for the treatment of neurodegenerative diseases, which will have a greater e.