Open AccessMolecular dynamics study of structural properties of γ-aminobutyric acid (GABA)
Author(s) -
Shyam Prakash Khanal,
R. P. Koirala,
Esha Mishra,
Narayan Prasad Adhikari
Publication year - 2021
Publication title -
bibechana
Language(s) - English
Resource type - Journals
ISSN - 2382-5340
DOI - 10.3126/bibechana.v18i1.29442
Subject(s) - neurotransmission , chemistry , aqueous solution , molecular dynamics , biophysics , aminobutyric acid , gamma aminobutyric acid , gaba receptor , molecule , gabaa receptor , computational chemistry , receptor , biochemistry , biology , organic chemistry
The study of structural conformation of Gamma-aminobutyric acid (GABA) exhibits its biological and chemical activities. The GABA molecule is responsible in neurotransmission from one neuron to another neuron and activates the ion channels to pass the chlorine and sodium ions in nerve cells. Its conformation in solid state and gas state are extremely different and it also shows five different conformations in aqueous solution. The study of its structure in such environment can reveal its activity in cellular environment. We have performed the classical molecular dynamics study of this system of GABA in aqueous medium to deal its structure. Radial distribution function (RDF) has been used to study the structural properties of the system.
BIBECHANA 18 (2021) 67-74