The Effect of Arginine on the Phase Stability of Aqueous Hen Egg-White Lysozyme Solutions.

International journal of molecular sciences(2023)

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摘要
The effect of arginine on the phase stability of the hen egg-white lysozyme (HEWL) has been studied via molecular dynamics computer simulations, as well as experimentally via cloud-point temperature determination. The experiments show that the addition of arginine increases the stability of the HEWL solutions. The computer simulation results indicate that arginine molecules tend to self-associate. If arginine residues are located on the protein surface, the free arginine molecules stay in their vicinity and prevent the way protein molecules "connect" through them to form clusters. The results are not sensitive to a particular force field and suggest a possible microscopic mechanism of the stabilizing role of arginine as an excipient.
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关键词
arginine,cloud-point temperature,force field effect,hen egg-white lysozyme,molecular dynamics,phase stability of protein solutions,self-association
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