Extensive Modelling and Quantum Chemical Study of Sterol C-22 Desaturase mechanism: a commercially important Cytochrome P450 family

June 20, 2020by admin

In this study, we have conducted in-depth modelling studies, extended molecular dynamics experiments, and quantum chemical calculations to throw light on the structure-function relationship and its mechanism of enzyme action. A novel finding on second hydrogen abstraction in the C-22 desaturase mechanism was delineated.

Read More: https://doi.org/10.1016/j.cattod.2021.12.004