Cargando…

The molecular mechanism of P450-catalyzed amination of the pyrrolidine derivative of lidocaine: insights from multiscale simulations

Nitrogen heterocycles are key and prevalent motifs in drugs. Evolved variants of cytochrome P450(BM3) (CYP102A1) from Bacillus megaterium employ high-valent oxo-iron(iv) species to catalyze the synthesis of imidazolidine-4-ones via an intramolecular C–H amination. Herein, we use multi-scale simulati...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Conger, Wu, Peng, Wang, Zhanfeng, Wang, Binju
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037892/
https://www.ncbi.nlm.nih.gov/pubmed/35480638
http://dx.doi.org/10.1039/d1ra04564d

Ejemplares similares