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Project type/Form of grant
Project grant
Title [sv]
Datorbaserad analys av binding av blockerare till humana kaliumkanaler och strukturbaserad design av inhibitorer till enzymer från patogener
Title [en]
Computational Analysis of Blocker Binding to Human Potassium Channels and Structure-Based Inhibitor Design Against Pathogen Enzymes
Abstract [sv]
The project deals with two areas, namely computational modelling of human cardiac K+ channels and their blockade by pharmaceutical compounds and inhibitor design against some pathogen enzymes. The first area has recently experienced a huge thrust forward due to the determination of a number 3D channel structures, that allow increasingly accurate models of related channels to be constructed. We will focus on the human Kv1.5 and hERG channels that are both of high relevance in relation to cardiac arrhythmias. While the former is a target for atrial specific antiarrhythmic drugs, the latter is a major obstacle in drug development due to frequent unwanted interactions with wide ranges of compounds, which can cause severe side-effects. Our goals are to establish the structural basis for blocker interactions with Kv1.5 and hERG and to explore the structural basis of hERG mutations associated with long QT syndrome.The second area deals with inhibitor design against proteases from the malaria parasite P. falciparum and against key enzymes from M. tuberculosis, in collaboration with structural biology and medicinal chemistry groups. Several highly interesting targets for drug design have emerged and structural information for some of these enzymes has become available, thereby providing excellent opportunities for structure-based design and discovery of new potent inhibitors.
Principal InvestigatorÅqvist, Johan
Coordinating organisation
Uppsala University
Funder
Period
2009-01-01 － 2011-12-31
Identifiers
DiVA, id: project:3417Project, id: 2008-04515_VR

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