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Letters in Drug Design & Discovery

Author(s): Haruki Eguchi, Kousaku Iwatsubo and Yoshihiro Ishikawa

DOI: 10.2174/157018007781387755

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Isoform-Selective Regulation of Adenylyl Cyclase by Forskolin Derivatives:Prediction of Selectivity by Computer-Based Analysis

Page: [434 - 441] Pages: 8

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Abstract

Adenylyl cyclase is a membrane-bound enzyme that catalyzes the conversion of ATP to cAMP upon various hormonal stimulations. Isoform-selectivity among forskolin derivatives that forskolin and its derivatives are a direct activator of adenylyl cyclase, can be predicted mostly by the distribution of the negative electrostatic potential of each derivative.

Keywords: Adenylyl cyclase, Isoform-selectivity, cAMP, Forskolin, Electrostatic potential, First principles calculations