KRIPO - a structure-based pharmacophores approach explains polypharmacological effects.

Tina Ritschel,Tom Jj Schirris,Frans Gm Russel

doi:10.1186/1758-2946-6-s1-o26

Abstract

“The most fruitful basis for the discovery of a new drug is to start with an old one” is a citation from Sir James Black’s Nobel laureate (1988). The background of this statement lies in the fact that most drugs are able to bind to multiple protein targets in the human body, this is known as polypharmacology. This behaviour can lead to unwanted side effects, and innovative research to avoid such adverse properties is of great importance. Paradoxically, polypharmacology can also be used to create new therapeutic approaches, as the protein to which a drug binds causing a side effect in one case, can be the main target for another treatment. Many cases report about the problems and opportunities of polypharmacology.

Highlights

“The most fruitful basis for the discovery of a new drug is to start with an old one” is a citation from Sir James Black’s Nobel laureate (1988). The background of this statement lies in the fact that most drugs are able to bind to multiple protein targets in the human body, this is known as polypharmacology
Many cases report about the problems and opportunities of polypharmacology
Using KRIPO (Key Representation of Interaction in POckets) [1] with specially developed pharmacophore fingerprints, we provide an objective method to accurately describe protein interactions

Summary

Introduction

KRIPO – a structure-based pharmacophores approach explains polypharmacological effects “The most fruitful basis for the discovery of a new drug is to start with an old one” is a citation from Sir James Black’s Nobel laureate (1988). The background of this statement lies in the fact that most drugs are able to bind to multiple protein targets in the human body, this is known as polypharmacology.

Results

Conclusion