Ekowati Retnaningtyas, S.B. Sumitro, D.W. Soeatmadji, E. Widjayanto
Water has an important role in the stability of the structure of the albumin protein. Dehydration condition will affect the conformational changes of albumin protein. This study aims to know the role of water in affecting albumin protein conformational changes by means of molecular dynamics simulations. 3D sample of human serum albumin (1AO6) was obtained from the Protein Data Bank and prepared with VEGAZZ program v.3.08. Simulation process was performed with Gromacs v.4.5.1. The simulation process used the force field GROMOS 43a1 for 1000 ps. The results showed that the dehydration by 30% and 40% can make the dynamics of the protein albumin more static and the dynamic pattern is much different compared to normal conditions. Therefore it can be concluded that the decrease in the amount of water can affect the dynamics of the albumin protein effecting the blood viscosity change. © 2016, International Journal of Pharmaceutical and Clinical Research. All rights reserved.
Department of Medical Science, Brawijaya University, Malang, East Java, Indonesia; Departement of Biology, Brawijaya University, Malang, East Java, Indonesia; Departement of Internal Diseases, Brawijaya University, Malang, East Java, Indonesia; Departement of Pharmacology, Brawijaya University, Malang, East Java, Indonesia
