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Design of zinc metalloenzyme targeted drugs using an integrated technology approach

Design of zinc metalloenzyme targeted drugs using an integrated technology approach

Objective

The objective of DeZnIT is to develop and apply new methodology for the rational and accelerated design of novel drugs targeted against zinc-containing enzymes. These enzymes are key modulators of many serious human diseases including cancer, glaucoma, obesity, and rheumatoid arthritis. Despite some successes, many major technological challenges remain in the development of effective drug therapies against this enzyme family. The main challenges are:
1. Selectivity of drugs: The inhibition of a particular family member is required but structures are numerous and highly similar;
2. Drug developability: Potent inhibition of an enzyme is often achieved at the expense of other desirable properties;
3. Availability of accurate structural data for target enzymes: This is a real challenge for certain classes of Zn-enzymes;
4. Rational design of drugs: The involvement of a transition metal in the binding site presents special challenges in work on Zn containing enzymes.
DeZnIT will address these challenges by developing and integrating key technologies from pharmacogenomics, computer modelling, structural and molecular biology and chemistry, combined with drug discovery infrastructure and expertise. In particular, highly novel computational approaches taken from the field of computer science will be applied to drug design for the first time. The consortium members combine all the necessary competencies to achieve the goals and objectives of DeZnIT.
DeZnIT is highly focused on the identification of novel and more effective drug candidates, which will be further developed for serious human diseases. The other outcomes of DeZnIT are improved methods for computational drug design and other platform technologies such as, crystallography, molecular biology (including development of biomarkers) and chemical synthesis. Success of DeZnIT would lead to significantly reduced cost and timelines for drug discovery processes, with consequent health and economic impacts.

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Coordinator

TAMPEREEN YLIOPISTO

Address

Kalevantie 4
Tampere

Finland

Administrative Contact

Seppo PARKKILA (Professor)

Participants (8)

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TOPOTARGET A/S

Denmark

KEY DRUG PROTOTYPING BV

Netherlands

LATVIAN INSTITUTE OF ORGANIC SYNTHESIS

Latvia

INHIBOX LIMITED

United Kingdom

UNIVERSITA' DEGLI STUDI DI FIRENZE

Italy

THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD

United Kingdom

CONSIGLIO NAZIONALE DELLE RICERCHE - ISTITUTO DI BIOSTRUTTURE E BIOIMMAGINI

Italy

CHRISTIAN-ALBRECHTS-UNIVERSITAET ZU KIEL

Germany

Project information

Grant agreement ID: 37303

  • Start date

    1 January 2007

  • End date

    30 June 2010

Funded under:

FP6-LIFESCIHEALTH

  • Overall budget:

    € 4 046 311

  • EU contribution

    € 3 118 400

Coordinated by:

TAMPEREEN YLIOPISTO

Finland