THEORETICAL STUDY OF DIFFERENT TEMPERATURE EFFECT IN PREDICTION THE PROPERTIES OF AQUAPORINS CHANNELS FOR WATER TRANSFER

AQPs (aquaporins), the rapid water channels of cells, play a key role in maintaining osmotic equilibrium of cells. In this paper, we reported the dynamic mechanism of AQP osmosis at the molecular level. More than ten different aquaporins have been found in human body, and several diseases, such as congenital cataracts and nephrogenic diabetes insipidus, are connected to the impaired function of these channels. The present investigation is profound manifesting of thermodynamics characteristics of the impressive AQP4 role in biology. The calculations were carried out using HyperChem professional release 7.01 package of program. We investigate effects of gas phase at seven temperatures (300, 302, 304, 306, 308 and 310) on interaction of aquaporins, utilizing these force fields. The Total energy (ETot), Potential (Epot) and Kinetic (Ekin) energy (kcal/mol), calculated by Monte Carlo simulation (Amber and Opls force field) in different Temperature.