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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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结合分子模拟探讨PC脂肪酶催化PBS基共聚物降解的主链异构效应
DOI: 10.11777/j.issn1000-3304.2015.14329, PP. 500-507
Keywords: 酶催化降解,共聚物,洋葱假单胞菌脂肪酶,降解产物,分子对接
Abstract:
采用固定化洋葱假单胞菌脂肪酶(Pseudomonascepacialipase,PC脂肪酶)为催化剂,在有机溶剂体系中研究了环己烷二甲醇和环己烷二甲酸对聚丁二酸丁二醇酯(PBS)的改性共聚物,即聚(丁二酸丁二醇-co-丁二酸环己烷二甲醇酯)(PBS-co-CHDMS)和聚(丁二酸丁二醇-co-环己烷二甲酸丁二醇酯)(PBS-co-BCHDA)的降解规律及其差异性.通过共聚物降解率随时间的变化、降解产物的MALDI-TOF-MS分析研究了共聚物降解规律,并以分子模拟分别研究了降解差异性和PC脂肪酶与底物的结合机制.研究结果表明,PC脂肪酶均可催化PBS基共聚物降解;在降解60h后,相比较于PBS-co-BCHDA,PBS-co-CHDMS降解率均更大;其中PBS-co-10%CHDMS降解率最大,为85%.共聚物降解不仅生成了线型小分子,还产生了部分环状低聚物;此外,PBS-co-CHDMS降解产生的低聚物种类比PBS-co-BCHDA的要多.分子对接模拟结果表明,在氯仿中,PC脂肪酶与底物结合自由能的大小顺序为CMSCM>BSCM>BCAB>BSB,即含有丁二酸环己烷二甲醇酯(CHDMS)单元的底物与PC脂肪酶活性位点的对接更为稳定.
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