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LUMO energy of model compounds of bispyridinium compounds as an index for the inhibition of choline kinase.

Abstract：

:Eleven derivatives of 1,1'-[1,2-ethylenebis(benzene-1,4-diylmethylene)]bis(4-pyridinium) dibromides bearing various groups at C-4 of the pyridinium moiety were synthesized and examined for their inhibition of choline kinase (ChoK) and antiproliferative activities. The C-4 substituents include electron-releasing, neutral or electron-withdrawing groups. A one-parameter regression equation has been derived which satisfactorily describes the ex vivo inhibitory potency of ChoK of the title compounds. The electronic effect plays a critical function in the ex vivo inhibition of ChoK although the role of electrostatic interactions could be altered due to a solvation process of both ChoK and ligands.

journal_name

Eur J Med Chem

journal_title

European journal of medicinal chemistry

authors

Campos J,del Carmen Núñez M,Rodríguez V,Entrena A,Hernández-Alcoceba R,Fernández F,Lacal JC,Gallo MA,Espinosa A

doi

10.1016/s0223-5234(01)01219-3

subject

Has Abstract

pub_date

2001-03-01 00:00:00

pages

215-25

issue

3

eissn

0223-5234

issn

1768-3254

pii

S0223-5234(01)01219-3

journal_volume

36

pub_type

杂志文章

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