What is it about?

This study described the behaviour of Cathepsin D, an enzyme implicated in breast cancer, when it is bound to a drug and when it is unbound. It describes the characteristics it exhibits in order to keep the drug intact within the enzyme to exert a therapeutic effect.

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Why is it important?

This study offers a different mathematical/statistical metrics that could help confirm experimental findings as well as aid the design of drugs.


This publication serves as a cornerstone for future drug design in the treatment of breast cancer.

Ms Olayide Adebimpe Arodola
University of KwaZulu-Natal School of Health Sciences

Read the Original

This page is a summary of: Molecular Dynamics Simulations of Ligand-Induced Flap Conformational Changes in Cathepsin-D-A Comparative Study, Journal of Cellular Biochemistry, April 2016, Wiley,
DOI: 10.1002/jcb.25564.
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