In Silico Evaluation of Enzymatic Tunnels in the Biotransformation of α-Tocopherol Esters.

ABSTRACT: Motivation: α-Tocopherol is a molecule obtained primarily from plant sources that are important for the pharmaceutical and cosmetics industry. However, this component has some limitations such as sensitivity to oxygen, presence of light, and high temperatures. For this molecule to become more widely used, it is important to carry out a structural modification so that there is better stability and thus it can carry out its activities. To carry out this structural modification, some modifications are carried out, including the application of biotransformation using enzymes as biocatalysts. Thus, the application of a computational tool that helps in understanding the transport mechanisms of molecules in the tunnels present in the enzymatic structures is of fundamental importance becaus

SUBMITTER: Azevedo TSM 

PROVIDER: S-EPMC8814584 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature