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DUALITY TERMINATED

An Integrated Computational and Experimental Approach to Rapid Synthesis of Highly Selective Dual-Targeted HDAC/CK2, MMP2/CK2 Inhibitors

Total Cost €

EC-Contrib. €

Partnership

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DUALITY project word cloud

Explore the words cloud of the DUALITY project. It provides you a very rough idea of what is the project "DUALITY" about.

proliferative create interesting acetyl ck2 active therapies directed hdac1 environment matrix chromatin progression family multiple synthesize alternative treatment extensive regulates dual drug inhibition threonine computational interfering genetic deacetylation tumor constitutively aberrant anticancer single anti mmps group diseases mechanisms apoptotic resistance mmp2 dependent constitutes selectivity deacetylases synthesis networks standard crosstalks reverse traditional inhibitors metalloproteinases viability epigenetic zn transcription repression difficulties expression acetylation cancer remove serine histones strategy prevent gene signaling cocktails maintenance groups serious modulators hdacs kinase matrixins fragment agents disease histone enzymes condensation favorable inducing chosen cellular cell seek techniques

Project "DUALITY" data sheet

The following table provides information about the project.

Coordinator	FUNDACION UNIVERSITARIA SAN PABLO-CEU Organization address address: C ISAAC PERAL 58 city: MADRID postcode: 28040 website: www.ceu.es contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	Spain [ES]
Total cost	170˙121 €
EC max contribution	170˙121 € (100%)
Programme	1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
Code Call	H2020-MSCA-IF-2016
Funding Scheme	MSCA-IF-EF-ST
Starting year	2018
Duration (year-month-day)	from 2018-04-10 to 2020-04-09

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	FUNDACION UNIVERSITARIA SAN PABLO-CEU FUNDACION UNIVERSITARIA SAN PABLO-CEU Organization address address: C ISAAC PERAL 58 city: MADRID postcode: 28040 website: www.ceu.es contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	ES (MADRID)	coordinator	170˙121.00

Map

Project objective

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.

Publications

List of publications.
year	authors and title	journal	last update
2019	Rangasamy, Geronimo, OrtÃn, Coderch, Zapico, Ramos, de Pascual-Teresa Molecular Imaging Probes Based on Matrix Metalloproteinase Inhibitors (MMPIs) published pages: 2982, ISSN: 1420-3049, DOI: 10.3390/molecules24162982	Molecules 24/16	2020-03-06

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