Catechol-O-Methyl Transferase

Molecular Dynamics simulations of the enzyme Catechol-O-Methyl Transferase
Catechol-O-methyltransferase (COMT) is an enzyme responsible for the inactivation, for example, catecholamine neurotransmitters, including dopamine, epinephrine and norepinephrine. Inhibitors for COMT activity are needed in the treatment neurodegenerative diseases, e.g., Alzheimer's and Parkinson's diseases.

References:

1. Extensive Molecular Dynamics simulations of the enzyme Catechol-O-Methyl Transferase: Methodological issues, A. Bunker, P.T. Männistö, J.-F. St.-Pierre, T. Róg, P. Pomorski, and M. Karttunen, SAR and QSAR in Env. Res. 19, 179-189 (2008). http://dx.doi.org/10.1080/10629360701843318

Category:

Science & Technology

Tags:

• softsimu
• COMT
• molecular dynamics
• enzyme