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SAF2012-39760-C02-02

Financiado

INTEGRACION DE ESTRATEGIAS PARA EL DISEÑO Y DESCUBRIMIENTO DE LIGANDOS CON AFINI...

INTEGRACION DE ESTRATEGIAS PARA EL DISEÑO Y DESCUBRIMIENTO DE LIGANDOS CON AFINIDAD POR DIANAS DE INTERES TERAPEUTICO EN ENFERMEDADES DE ALTA PREVALENCIA O ABANDONADAS THERE ARE STILL LARGELY UNMET MEDICAL NEEDS AFFECTING HUMANS, PARTICULARLY WIDELY DISSEMINATED PATHOLOGIES SUCH AS AIDS AND CANCER, AND NEGLECTED DISEASES SUCH AS LEISHMANIASIS WHOSE PREVALENCE IS MUCH HIGHER THAN PREVIOUSLY SUSPE... ver más

01/01/2012

UAH

152K€

Presupuesto del proyecto: 152K€

Líder del proyecto

UNIVERSIDAD DE ALCALÁ No se ha especificado una descripción o un objeto social para esta compañía.

Total investigadores 844

Financiación concedida El organismo AGENCIA ESTATAL DE INVESTIGACIÓN notifico la concesión del proyecto el día 2012-01-01

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UAH

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Líder del proyecto

UNIVERSIDAD DE ALCALÁ

Total investigadores 844

Presupuesto del proyecto 152K€

Descripción del proyecto THERE ARE STILL LARGELY UNMET MEDICAL NEEDS AFFECTING HUMANS, PARTICULARLY WIDELY DISSEMINATED PATHOLOGIES SUCH AS AIDS AND CANCER, AND NEGLECTED DISEASES SUCH AS LEISHMANIASIS WHOSE PREVALENCE IS MUCH HIGHER THAN PREVIOUSLY SUSPECTED. IN ALL THREE CASES INNOVATIVE "DRUGGABLE" TARGETS ARE BEING SOUGHT BECAUSE OF THE EVENTUAL EMERGENCE OF RESISTANCE AND THE INEFFICIENCY OF CURRENT TREATMENTS. THIS JOINT PROPOSAL MERGES OUR EXPERTISE IN SYNTHETIC CHEMISTRY, BIOCHEMISTRY, MOLECULAR BIOLOGY, BIOINFORMATICS AND COMPUTER SIMULATIONS TOWARDS THE COMMON GOAL OF DISCOVERING NEW COMPOUNDS TO COMBAT THESE DISEASES. TO IDENTIFY NOVEL HITS AND LEADS WE PURSUE THE INTEGRATION OF SOME NOVEL STRATEGIES, BOTH IN TERMS OF MACROMOLECULAR TARGETS AND MECHANISMS OF INHIBITION. FOR HIV, WE PURSUE THE DESIGN OF LOW-MOLECULAR-WEIGHT MOLECULES (LECTIN MIMETICS) CAPABLE OF PREVENTING ENTRY OF THE VIRUS INTO THE CELL THROUGH INTERACTIONS WITH THE SUGARS PRESENT IN THE GP120 VIRAL PROTEIN, AS ALREADY DEMONSTRATED FOR SOME NATURAL LECTINS AND FOR THREE SERIES OF SMALL MOLECULES PREPARED IN THE FRAMEWORK OF OUR PREVIOUS PROJECT (SAF2009-13914-C02). THIS IS A NOVEL THERAPEUTIC CONCEPT TO FIGHT AGAINST HIV INFECTION THAT PURSUE A DIRECT EFFECT BY PREVENTING HIV ENTRY AND TRANSMISSION AND AN INDIRECT EFFECT BY FORCING HIV TO MUTATE AND REMOVE GLYCANS FROM ITS ENVELOPE GP120 GLYCOPROTEIN AND ALLOWING THE IMMUNE SYSTEM TO BECOME TRIGGERED TO SUPPRESS HIV MORE EFFICIENTLY. FOR CANCER CELLS, OUR FOCUS WILL BE ON TUBULIN, A PROTOTYPICAL TARGET FOR ANTIMITOTICS BUT ALSO AN EMERGING TARGET IN THE SEARCH FOR NOVEL VASCULAR DISRUPTING AGENTS (VDA) THAT DAMAGE BLOOD VESSELS IN TUMORS AND CAUSE EXTENSIVE NECROSIS AT THE TUMOR CORE WITHOUT AFFECTING NORMAL TISSUES. WE WILL FOCUS ON TWO HITS, ALREADY IDENTIFIED IN OUR RESEARCH GROUP THROUGH A VIRTUAL SCREENING (VS) CAMPAIGN, THAT BIND AT THE COLCHICINE-BINDING SITE OF TUBULIN. THESE HITS REPRESENT A PROMISING START FOR THE DEVELOPMENT OF NOVEL COMPOUNDS WITH VASCULAR DISRUPTING ACTIVITY THAT COULD BE USEFUL FOR THE TREATMENT OF SOLID TUMORS. FOR LEISHMANIA PARASITES, A DUAL APPROACH IS ENVISIONED CONSISTING OF (I) INHIBITING THE DIMERIZATION OF THE CRUCIAL ENZYME TRYPANOTHIONE REDUCTASE (TRYR) (A HOMODIMER) AND (II) TARGETING THE MITOCHONDRIAL ENDOG NUCLEASE RECENTLY CHARACTERIZED IN OUR GROUP. IN THE CASE OF TRYR, WE HAVE FOCUSED ON A NEW HIT LINEAL PEPTIDE DISCOVERED IN THE FRAMEWORK OF OUR PREVIOUS PROJECT (SAF2009-13914-C02) THAT WAS SHOWN TO INHIBIT BOTH THE ACTIVITY AND DIMERIZATION OF THE ENZYME. OUR HIT PEPTIDE WAS DESIGNED TO MIMIC AN INTERFACIAL ALPHA-HELIX THAT APPEARS TO INTERACT WITH SEVERAL DIMERIZATION HOT SPOTS. THIS PEPTIDE CONSTITUTES AN EXCELLENT STARTING POINT FOR EXPLORING MONOMER-MONOMER INTERACTIONS OF TRYR AND A NOVEL PROMISING CANDIDATE THAT MAY EVENTUALLY LEAD TO INHIBITORS LESS PRONE TO RESISTANCE DEVELOPMENT. IN ADDITION, WE PROPOSE TO IMPROVE OUR IN-HOUSE VS PLATFORM WITH NEW UTILITIES, TO DEVELOP A USER-FRIENDLY TOOL FOR NAVIGATING CHEMICO-BIOLOGICAL SPACE AND EXPAND ON THE ANALYSIS OF STRUCTURE-ACTIVITY RELATIONSHIPS USING OUR COMBINE ANALYSIS METHODOLOGY.

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