西安工程大学学报2024，Vol.38Issue(3)：61-67,7.DOI:10.13338/j.issn.1674-649x.2024.03.009
β-葡萄糖苷酶J384W位点突变的生物信息学及分子对接
Bioinformatics and molecular docking study of β-glucosidase J384W locus mutation
摘要
Abstract
In order to improve the conversion efficiency of ginsenoside Rb1 by β-glucosidase,the key regions and sites involved in substrate recognition and binding in the conversion of ginsen-oside Rb1 by β-glucosidase were obtained by molecular docking,the J384 site was fixed-point mu-tated to W384,and the physicochemical properties,hydrophilic/hydrophobicity,transmembrane region,and secondary/tertiary structure of the wild enzyme and the mutant enzyme were com-pared by bioinformatics.The results showed that altering the internal structure of the enzyme re-sulted in an increase in the number of binding sites and greater overall stability;and the mutant enzyme was more likely to spontaneously bind to ginsenoside Rb1 than the wild enzyme,with a minimum binding energy of-9.02 KJ/mol.关键词
β-葡萄糖苷酶/定点突变/生物信息学/分子对接Key words
β-glucosidase/sentinel mutation/bioinformatics/molecular docking分类
生物科学引用本文复制引用
潘虹,姚向钰,洪一楠,王晓军,樊雨柔..β-葡萄糖苷酶J384W位点突变的生物信息学及分子对接[J].西安工程大学学报,2024,38(3):61-67,7.基金项目
陕西省自然科学基础研究计划项目(2021JQ-672) （2021JQ-672）
陕西省教育厅专项科研计划(22JK0399) （22JK0399）
