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Drug Design for Cardiovascular Diseases: Integration of in Silico and in Vitro Analysis

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Identifying drug targets for heart disease

An EU-funded project made progress in the investigation of complex molecular interactions taking place at the onset of disease. Researchers identified various molecular targets related to cardiovascular disease in particular.

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Any attempts at drug development require first and foremost the identification and validation of drug targets for the intended therapeutic application. Although recent advances have rapidly stepped up the process, target screening remains very difficult with regard to multifactorial diseases. Characterised by a complex interplay between genetic and environmental factors, coronary artery diseases (CADs) make up one of the major groups of multifactorial diseases. The 'Drug design for cardiovascular diseases: integration of in silico and in vitro analysis' (Cardioworkbench) project originally set out to identify new molecular targets involved in atherosclerosis and related CADs. Team members aimed to establish systems for selection and testing of molecules that are pharmacologically active, and thereby optimise drug design for CADs. Other project objectives included the development of mathematical models for predicting the effects of drugs on cardiovascular cell behaviour. Activities refocused work undertaken by Cardioworkbench towards the delivery of an integrative bioinformatics database system. The use of computational tools resulted in a new target being singled out and its chemical entities being put forward for consideration. Study results at the end of the project succeeded in highlighting other new potential targets. As such, project partners intend to focus on these beyond the scope of the current research project.

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