Repozytorium
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Kolekcje
Inne
Theoretical study of zeatin - a plant hormone and potential drug for neural diseases - on the basis of DFT, MP2 and target docking.
Autorzy
Rok wydania
2013
Czasopismo
Numer woluminu
557
Strony
140-144
DOI
10.1016/j.cplett.2012.12.034
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Zeatin, a cytokinin of the adenine family, originally isolated from Zea mays L., exhibits also bioeffects towards human cells: it is a potent acetylcholinesterase inhibitor and can potentially inhibit amyloid β-protein formation. The role of zeatin in neural disease treatment is yet to be established. This computational study describes a hierarchy of interactions between zeatin and a receptor, a protein from the nodulin family. DFT in hybrid and dispersion-corrected form as well as MP2 approaches were used to derive interaction energies. Docking procedure was employed to investigate the role of selected interaction for anchoring the ligand.
Adres publiczny
http://dx.doi.org/10.1016/j.cplett.2012.12.034