Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells

الموضوعات : Journal of Physical & Theoretical Chemistry

F. Kaveh ¹ , K. zare ² , S. Salemi ³ , A. R. Illchani ⁴ , N. Khodayari ⁵

1 - -
2 - -
3 - -
4 - -
5 - -

تاريخ الإرسال : 20 السبت , رجب, 1436 تاريخ التأكيد : 20 السبت , رجب, 1436 تاريخ الإصدار : 06 الأحد , صفر, 1430

الکلمات المفتاحية: Aquaporin-4, Brain edema, Molecular Dynamics, CHARMM,

ملخص المقالة :

This paper investigates the mechanism of water transportation through aquaporin-4(AQP4) of ratbrain cells by means of molecular dynamics simulation with CHARMM software. The AQP4 wasembedded into a bilayer made of Dimystroilphosphatylcholine (DMPC). The results illustrate thatwater molecules move through AQP4's channel with change of orientation of oxygen of eachwater molecule.