Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study

Soil bacteria can produce urease, which catalyzes the hydrolysis of urea to ammonia (NH(3)) and carbamate. A variety of urease inhibitors have been proposed to reduce NH(3) volatilization by interfering with the urease activity. We report a quantum mechanics/molecular mechanics molecular dynamics (Q...

Descripción completa

Detalles Bibliográficos
Autores principales: Suenaga, Shunya, Takano, Yu, Saito, Toru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10051795/
https://www.ncbi.nlm.nih.gov/pubmed/36985670
http://dx.doi.org/10.3390/molecules28062697

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10051795/
https://www.ncbi.nlm.nih.gov/pubmed/36985670
http://dx.doi.org/10.3390/molecules28062697

Ejemplares similares