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

URN zum Zitieren dieses Dokuments:: urn:nbn:de:bvb:355-epub-26664

Wang, Jenna L. ; Guo, Jian-Xin ; Zhang, Qi-Yuan ; Wu, Jay J.-Q. ; Seifert, Roland ; Lushington, Gerald H.

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Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:40

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Abstract—Adenylyl cyclases (ACs) are promising pharmacological targets for treating heart failure, cancer, and psychosis. Ribosesubstituted 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 pKi values. Energy ...

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

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