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

Haruki Eguchi; Kousaku Iwatsubo; Yoshihiro Ishikawa

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

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Letters in Drug Design & Discovery

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

Volume: 4 Issue: 6

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

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

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.

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Haruki Eguchi , Kousaku Iwatsubo and Yoshihiro Ishikawa , Isoform-Selective Regulation of Adenylyl Cyclase by Forskolin Derivatives:Prediction of Selectivity by Computer-Based Analysis, Letters in Drug Design & Discovery 2007; 4 (6) . https://dx.doi.org/10.2174/157018007781387755