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An Integrated Computational and Experimental Approach to Rapid Synthesis of High...

An Integrated Computational and Experimental Approach to Rapid Synthesis of Highly Selective Dual Targeted HDAC CK2 MMP2 CK2 Inhibitors Traditional drug design strategy based on a single target has serious difficulties in developing new therapies for diseases such as cancer. Cancer is a very complex multi-genetic disease that involves multiple crosstalks between s... see more

09/04/2020

CEU

170K€

Project Budget: 170K€

Project leader

FUNDACION UNIVERSITARIA SAN PABLO CEU No se ha especificado una descripción o un objeto social para esta compañía.

total researchers 22

PARTICIPATION DEPralty Sin fecha límite de participación.

Financing granted El organismo H2020 notifico la concesión del proyecto The day 2020-04-09

MSCA-IF-2016: Individual Fellowships Objective:The goal of the Individual Fellowships is to enhance the creative and innovative potential...

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Cerrada does 9 years

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characteristics of the participant

Este proyecto no cuenta con búsquedas de partenariado abiertas en este momento.

Private Information

No hay información privada compartida para este proyecto. Habla con el coordinador.

1 Participantes

CEU

170.12K€ | Leader

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Project duration: 36 months Date Start: 2017-03-21
End date: 2020-04-09

Project leader

FUNDACION UNIVERSITARIA SAN PABLO CEU No se ha especificado una descripción o un objeto social para esta compañía.

total researchers 22

Project Budget 170K€

participation deadline Sin fecha límite de participación.

Project description Traditional drug design strategy based on a single target has serious difficulties in developing new therapies for diseases such as cancer. Cancer is a very complex multi-genetic disease that involves multiple crosstalks between signaling networks. The use of cocktails of various anticancer agents interfering with different mechanisms has been the standard treatment to prevent the problems of resistance. An alternative approach is to design multi-target modulators, directed to different disease mechanisms. That is the approach we have chosen for this project, where we seek to design, synthesize and evaluate new dual agents based on the inhibition of three enzymes involved in the development and progression of tumor processes: HDAC1, CK2 and MMP2. CK2 is a serine / threonine kinase that is constitutively active and essential for cell viability. Its proliferative and anti-apoptotic properties create a favorable cellular environment for tumor progression and maintenance and, therefore, constitutes an interesting target for the treatment of cancer. Acetylation/deacetylation of histones is one of the epigenetic mechanisms that regulates gene expression. HDACs (histone deacetylases) remove acetyl groups from histones, inducing condensation of chromatin and, therefore, the repression of gene transcription. For this reason, they are considered key targets to reverse aberrant epigenetic changes associated with cancer. Matrix metalloproteinases (MMPs), also called matrixins are another family of Zn-dependent enzymes. Our research group has extensive experience in the design and synthesis of inhibitors of MMP2 provided with high activity and, more importantly, high selectivity over other metalloproteinases. The design of multi-target modulators will be carried out making use of computational techniques and based on the previous experience of the group in the design and synthesis of inhibitors of these three targets through a fragment based process.

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