Theoretical Study of Molecular Structure and Physicochemical Properties of Novel Factor Xa Inhibitors and Dual Factor Xa and Factor IIa Inhibitors

The geometries and energies of factor Xa inhibitors edoxaban, eribaxaban, fidexaban, darexaban, letaxaban, and the dual factor Xa and thrombin inhibitors tanogitran and SAR107375 in both the gas-phase and aqueous solution were studied using the Becke3LYP/6-31++G(d,p) or Grimme’s B97D/6-31++G(d,p) me...

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Detalles Bibliográficos
Autores principales: Remko, Milan, Remková, Anna, Broer, Ria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273828/
https://www.ncbi.nlm.nih.gov/pubmed/26861270
http://dx.doi.org/10.3390/molecules21020185

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273828/
https://www.ncbi.nlm.nih.gov/pubmed/26861270
http://dx.doi.org/10.3390/molecules21020185

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