当前位置： SCI文献检索 > BIOORGANIC & MEDICINAL CHEMISTRY期刊下所有文献 > A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors.

A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors.

Abstract：

:Adenylyl cyclases (ACs) are promising pharmacological targets for treating heart failure, cancer, and psychosis. Ribose-substituted nucleotides have been reported as a potent family of AC inhibitors. In silico analysis of the docked conformers of such nucleotides in AC permits assembly of a consistent, intuitive QSAR model with strong correlation relative to measured pK(i) values. Energy decomposition suggests that the MANT group effects an AC conformational transition upon ligand binding.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Wang JL,Guo JX,Zhang QY,Wu JJ,Seifert R,Lushington GH

doi

10.1016/j.bmc.2007.02.014

subject

Has Abstract

pub_date

2007-04-15 00:00:00

pages

2993-3002

issue

8

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(07)00113-7

journal_volume

15

pub_type

杂志文章

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