Computational Study of the Structure, the Flexibility, and the Electronic Circular Dichroism of Staurosporine – a Powerful Protein Kinase Inhibitor

Karabencheva-Christova, Tatyana, Singh, Warispreet and Christov, Christo (2014) Computational Study of the Structure, the Flexibility, and the Electronic Circular Dichroism of Staurosporine – a Powerful Protein Kinase Inhibitor. Zeitschrift fur Naturforschung A (Journal of Physical Sciences), 69 (7). pp. 331-338. ISSN 0932-0784

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[18657109 - Zeitschrift für Naturforschung A] Computational Study of the Structure, the Flexibility, and the Electronic Circular Dichroism of Staurosporine – a Powerful Protein Kinase Inhibitor.pdf - Published Version

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Official URL: https://doi.org/10.5560/zna.2014-0021

Abstract

Staurosporine (STU) is a microbial alkaloid which is an universal kinase inhibitor. In order to understand its mechanism of action it is important to explore its structure-properties relationships. In this paper we provide the results of a computational study of the structure, the chiroptical properties, the conformational flexibility of STU as well as the correlation between the electronic circular dichroism (ECD) spectra and the structure of its complex with anaplastic lymphoma kinase.

Item Type: Article
Uncontrolled Keywords: Staurosporine, computational chemistry, electronic circular, dichroism, molecular dynamics, Anaplastic Lymphoma Kinase
Subjects: F100 Chemistry
Department: Faculties > Health and Life Sciences > Applied Sciences
Depositing User: Becky Skoyles
Date Deposited: 07 Jul 2014 10:27
Last Modified: 02 Jun 2020 15:30
URI: http://nrl.northumbria.ac.uk/id/eprint/16930

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