Home / Knowledge Center /
Article

Regio- and stereoselectivity in the CYP450BM3-catalyzed hydroxylation of complex terpenoids: a QM/MM study

Selected as a 2020 Hot PCCP Article by the Royal Society of Chemistry.
The site-selective C–H oxidation of terpenoids by P450 attracts great attention because of their wide
range of biological activities. However, the binding and catalytic mechanism of P450 for the hydroxylation of complex terpenoid substrates remains elusive, which has limited the rational engineering of P450
as a biocatalyst for terpenoid biosynthesis. Here, we studied the origin of the selectivity and reactivity of
P450BM3 in the hydroxylation of terpenoids by combining molecular dynamics simulations and QM/MM
calculations, using artemisinin as a model compound.
Submit your details below to read the full article:

View Resource
Almac Logo

Almac API, Chemical Development, Analytical & Solid State Services

Almac Sciences provides integrated services from development to commercial scale of advanced intermediates and Active Pharmaceutical Ingredients (API).

We provide a range of services for small molecules (including highly potent) and peptides. We have a proven track record of saving time and cost through the integration of our services and application of innovative biocatalysis and technology solutions.

Learn More

We offer a full suite of analytical testing for a range of different product types including small molecules, peptides, biologics, conjugates, potent and controlled substances.

Our vast pool of scientific knowledge can help to overcome the analytical challenges that typically arise during drug development.

Learn More

Please complete this form to view the Article

This website uses cookies. By continuing to browse the site, you are agreeing to our use of cookies