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.
|Journal||Zeitschrift fur Naturforschung A (Journal of Physical Sciences)|
|Early online date||2 Jun 2014|
|Publication status||Published - 1 Jul 2014|