Objective
To discover new therapeutics an innovative theoretical computer-assisted approach is developed and validated experimentally in a search for new cognition enhancers, anxiolytics and anticonvulsants. Probability to find new chemical entities are increased by virtual combinatorial design of compounds highly diversed chemically including different types of heterocycles: 5-membered (thiophenes, thiazoles, imidazoles, oxazoles, pyrroles), 6-membered (pyridines, pyrimidines), 7-membered (diazepines, triazepines), fused 5+6-membered heterocycles (indoles, benzothiazoles, purines, indolizines, neutral, mesoionic and cationic azolopyridines). Three supplementary computer-aided methods to drug discovery are used to provide the complex criteria applied to new pharmaceutical leads:
(1) prediction of biological activity spectra;
(2) optimization of leads' properies using artificial neural networks;
(3) prediction of bioavailability and toxicity.
New compounds from different chemical classes are virtually designed, synthesized and tested as potential cognition disorders, anxiolytics and anticonvulsants. Analytical computer system for de novo design of compounds with required complex of properties is developed and applied to the second generation of lead compounds, taking into account the results of the previous experiments and using lead optimisation methods by neural networks and genetic algorithm. The most prospective compounds are selected, synthesized and tested. The innovative approach developed within the frame of the project can be applied for compounds from the other chemical series and in search for new leads in different pharmacotherapeutic areas.
Fields of science (EuroSciVoc)
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Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Data not available
Coordinator
54006 Thessaloniki
Greece
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.