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...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Milan Remko, Anna Remková, Ria Broer
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: MDPI AG 2016-02-01
Sarja:Molecules
Aiheet:
density functional theory (DFT)
anticoagulants
conformation
solvent effect
acidity
lipophilicity
absorption
Linkit:http://www.mdpi.com/1420-3049/21/2/185
Tagit: Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!

Samankaltaisia teoksia