Evodiamine and Rutaecarpine as Potential Anticancer Compounds: A Combined Computational Study

Evodiamine (EVO) and rutaecarpine (RUT) are the main active compounds of the traditional Chinese medicinal herb Evodia rutaecarpa. Here, we fully optimized the molecular geometries of EVO and RUT at the B3LYP/6-311++G (d, p) level of density functional theory. The natural population analysis (NPA) c...

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Detalles Bibliográficos
Autores principales: Liu, Jingli, Guo, Hui, Zhou, Jing, Wang, Yuwei, Yan, Hao, Jin, Ruyi, Tang, Yuping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570036/
https://www.ncbi.nlm.nih.gov/pubmed/36232809
http://dx.doi.org/10.3390/ijms231911513

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570036/
https://www.ncbi.nlm.nih.gov/pubmed/36232809
http://dx.doi.org/10.3390/ijms231911513

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