title: [Investigation on bioactive protective function of amino acids to insulin by molecular simulation].
abstract: Heat sensitive protein medicines are increasingly exhibiting their critical importance on treatment of various diseases at present. But their popularization and application meet a great challenge because of their heat instability. In the present study, insulin was taken as a heat sensitive protein medicine and amino acid as bio-protective agent in order to investigate if these amino acids can protect the insulin from losing its bioactivity due to desiccation. The experiment was performed by using replica exchange molecular simulation (REMD) method and Gromacs software with Gromos96 (53a6) force field. The REMD results indicated that these amino acids could protect the bioactive structure of insulin during desiccation. The configurations of the protected insulin were preserved very well. Those results proved that amino acid is a kind of good bioactive protective agent for the heat sensitive protein medicines.
authors.forename: Daixi
authors.initials: D
authors.lastname: Li
authors.forename: Zhen
authors.initials: Z
authors.lastname: Zhai
authors.forename: Baisong
authors.initials: B
authors.lastname: Guo
authors.forename: Baolin
authors.initials: B
authors.lastname: Liu
authors.forename: Yan
authors.initials: Y
authors.lastname: Zhang
authors.forename: Huaxing
authors.initials: H
authors.lastname: Yu
authors.forename: Li
authors.initials: L
authors.lastname: Liu
authors.forename: Chunsheng
authors.initials: C
authors.lastname: Yang
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D003890:Desiccation; D004355:Drug Stability; D007328:Insulin / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D012984:Software
chemical_list: D000596:Amino Acids; D007328:Insulin