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Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase.

Abstract：

:Removal of each of the acyl groups of thapsigargin at O-3, O-8 and O-10 significant reduces the affinity of the inhibitors to the SERCA1a pump. Replacement of the acyl groups at O-3 and O-10 with flexible residues could be performed with only a minor decrease of the affinity, whereas introduction of voluminous stiff residues caused dramatic reduction of the affinity. The results can be rationalized on the basis of the interactions of thapsigargin with the SERCA1a pump as revealed from 3D X-ray structural models of thapsigargin bound to the SERCA1a. In conclusion the results confirm and elaborate the previously suggested pharmocophore model of thapsigargin.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Skytte DM,Møller JV,Liu H,Nielsen HØ,Svenningsen LE,Jensen CM,Olsen CE,Christensen SB

doi

10.1016/j.bmc.2010.06.032

subject

Has Abstract

pub_date

2010-08-01 00:00:00

pages

5634-46

issue

15

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(10)00560-2

journal_volume

18

pub_type

杂志文章

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