Molecular Simulation of GABA(A) Receptor to Study of Effects on Nervous Stimulants Inhibitory & Blood Pressure; A Nano Molecular Modeling of GABARAP

摘要

GABA is the most distributed inhibitory neurotransmitter that used by 25-50% of all synapses. Most of the physiological functions of GABA are provided by GABAA receptors which it is a member of the ionotropic receptor family.The purpose of the currentstudy on the energy levels of GABA receptor was to further analyze the effects of molecular structure stability from biophysical point of view. In this study, we worked on the Monte Carlo method with AMBER, BIO+ and OPLS force fields, kinetic energy, potential energy and total energy in 295, 298,305, 310and 315 Kelvin temperatures were used for computation. For kinetic energy ,total energy and potential energy in 310 K temperature(the body normal temperaturejamount of energy decreased. This can be interpreted that the molecule is in its most stable condition. The results showed that the chemical structure of GABA is stable in body temperature, so it can be used for proper drug designing.