md-medicaldata

Authors

 

Rok Borštnar
¹Laboratory for Genotoxicity, Pharmacokinetics & Preclinics, Pharmacokinetical & Preclinical R&D, Krka, d.d., Šmarješka cesta 6, 8501 Novo mesto, Slovenia

 

• The paper was received on 21.08.2016. / Accepted on 07.09.2016.

 

Correspondence to:
Rok Borštnar
Laboratory for Genotoxicity, Pharmacokinetics & Preclinics,
Šmarješka cesta 6, 8501 Novo mesto, Slovenia
rok.borstnar@guest.arnes.si

 

 

Abstract

 

Over the last decade, as well as even before, new insights and steps have been made in understanding the mechanism of neurodegenerative diseases such as Parkinson's and Alzheimer's disease are. New findings have also been possible, because of the development of the so called computational part of the research, which is especially useful when it comes to explaining and understanding the mechanisms of action on an atomic or even an electronic scale, thus offering a hint for more successful planning and design of real experiments. Many new approaches for a more rational and effective design of new medicines for Parkinson's disease have been tried out, wherein a very important role have also molecular simulations, especially in elucidating the mechanism of action of the medicine. By using the principles of molecular simulations (molecular modelling) an insight on the metabolic pathway of the medicine once inside the human body could be given. In the article it is based on the concrete examples presented how a  new medicine can be designed for neurodegenerative disease such as Parkinson's disease is.

 

 

Key words

Parkinson's disease, inhibitors, rational drug design, monoamine oxidase, methabolism

 

 

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