Elaborate ligand-based modeling and subsequent synthetic exploration unveil new nanomolar Ca2+/calmodulin-dependent protein kinase II inhibitory leads-Reference-Cited by-同舟云学术

Elaborate ligand-based modeling and subsequent synthetic exploration unveil new nanomolar Ca2+/calmodulin-dependent protein kinase II inhibitory leads

Published:2012-01 Issue:1 Volume:20 Page:377-400
ISSN:0968-0896
Container-title:Bioorganic & Medicinal Chemistry
language:en
Short-container-title:Bioorganic & Medicinal Chemistry

Author:

Shahin Rand,Taha Mutasem O.

Publisher

Elsevier BV

Subject

Organic Chemistry,Clinical Biochemistry,Drug Discovery,Pharmaceutical Science,Molecular Biology,Molecular Medicine,Biochemistry

Reference57 articles.

1. Structure–function of the multifunctional Ca2+/calmodulin-dependent protein kinase II

2. Role of activated CaMKII in abnormal calcium homeostasis and INa remodeling after myocardial infarction: Insights from mathematical modeling

3. Calmodulin kinase signaling in heart: an intriguing candidate target for therapy of myocardial dysfunction and arrhythmias

4. Target-induced conformational adaptation of calmodulin revealed by the crystal structure of a complex with nematode Ca 2+ /calmodulin-dependent kinase kinase peptide 1 1Edited by K. Morikawa

5. Aryl–indolyl maleimides as inhibitors of CaMKIIδ. Part 1: SAR of the aryl region

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