In-vitro and In-silico study on the acylation reaction of (-)-Isopulegol and L-Menthol Mixtures with Lipase from Rhizomuchor miehei

9th Annual Basic Science International Conference 2019

自然科学（总论）

Iftitah, Elvina Dhiatul^1^2 ; Yulasandini, Izma Fitria^1^2 ; Utomo, Edi Priyo^1^2

Department of Chemistry, University of Brawijaya, Indonesia^1

Essential Oil's Institute, University of Brawijaya, Indonesia^2

关键词: (-)-isopulegyl acetate;    In-silico;    In-vitro;    l-menthyl acetate;    Rhizomucor miehei;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/546/2/022006/pdf
DOI  :  10.1088/1757-899X/546/2/022006

学科分类：自然科学（综合）

来源: IOP

【 摘 要 】

In-vitro and In-silico study on the acylation reaction of (-)-isopulegol and l-menthol with lipase from Rhizomucor miehei have been done. In this study, the acylation reaction was conducted by using two kinds of acyl source, acetic anhydride and vinyl acetate. The reaction was performed at 50°C and mole ratio of (-)-isopulegol:l-menthol:acetic acid anhydride or vinyl acetate was 1:1:3. In-vitro study, shows that lipase from Rhizomucor miehei have catalyzed the acylation reaction in a good way, whereas acetic anhydride was more effectively as acyl source than vinyl acetate. The selectivity product of (-)-isopulegyl acetate and l-menthyl acetate after reaction in 24 h are 34,58% and 21,52% respectively. In-silico study gives the results which correlated with in-vitro study, in case of determination the suitable of acyl source. There are verified by the value of Kd which represent the interaction between (-)-isopulegol, l-menthol or acyl source as ligand with lipase as macromolecule. This work also gives the prediction of mechanism reaction model from in-silico study.