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Identification of Natural Products As Antidiabetic Agents Using Computer-Aided Drug Design Methods

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Identification of Natural Products As Antidiabetic Agents Using Computer-Aided Drug Design Methods IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies Dipòsit Legal: T. 609-2013 ADVERTIMENT. L'accés als continguts d'aquesta tesi doctoral i la seva utilització ha de respectar els drets de la persona autora. Pot ser utilitzada per a consulta o estudi personal, així com en activitats o materials d'investigació i docència en els termes establerts a l'art. 32 del Text Refós de la Llei de Propietat Intel·lectual (RDL 1/1996). Per altres utilitzacions es requereix l'autorització prèvia i expressa de la persona autora. En qualsevol cas, en la utilització dels seus continguts caldrà indicar de forma clara el nom i cognoms de la persona autora i el títol de la tesi doctoral. No s'autoritza la seva reproducció o altres formes d'explotació efectuades amb finalitats de lucre ni la seva comunicació pública des d'un lloc aliè al servei TDX. Tampoc s'autoritza la presentació del seu contingut en una finestra o marc aliè a TDX (framing). Aquesta reserva de drets afecta tant als continguts de la tesi com als seus resums i índexs. ADVERTENCIA. El acceso a los contenidos de esta tesis doctoral y su utilización debe respetar los derechos de la persona autora. Puede ser utilizada para consulta o estudio personal, así como en actividades o materiales de investigación y docencia en los términos establecidos en el art. 32 del Texto Refundido de la Ley de Propiedad Intelectual (RDL 1/1996). Para otros usos se requiere la autorización previa y expresa de la persona autora. En cualquier caso, en la utilización de sus contenidos se deberá indicar de forma clara el nombre y apellidos de la persona autora y el título de la tesis doctoral. No se autoriza su reproducción u otras formas de explotación efectuadas con fines lucrativos ni su comunicación pública desde un sitio ajeno al servicio TDR. Tampoco se autoriza la presentación de su contenido en una ventana o marco ajeno a TDR (framing). Esta reserva de derechos afecta tanto al contenido de la tesis como a sus resúmenes e índices. WARNING. Access to the contents of this doctoral thesis and its use must respect the rights of the author. It can be used for reference or private study, as well as research and learning activities or materials in the terms established by the 32nd article of the Spanish Consolidated Copyright Act (RDL 1/1996). Express and previous authorization of the author is required for any other uses. In any case, when using its content, full name of the author and title of the thesis must be clearly indicated. Reproduction or other forms of for profit use or public communication from outside TDX service is not allowed. Presentation of its content in a window or frame external to TDX (framing) is not authorized either. These rights affect both the content of the thesis and its abstracts and indexes. UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 Laura Guasch Pàmies Identification of Natural Products as Antidiabetic Agents Using Computer-Aided Drug Design Methods DOCTORAL THESIS Directed by Dr. Santiago Garcia Vallvé, Dr. Gerard Pujadas Anguiano and Dr. Miquel Mulero Abellán Deparment of Biochemistry and Biotechnology Tarragona 2011 UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 Departament de Bioquímica i Biotecnologia C/Marcel·lí Domingo s/n Campus Sescelades 43007 Tarragona Tel. : +34 977 559 521 Fax : +34 977 558 232 Dr.Santiago Garcia Vallvé, professor titular del Departament de Bioquímica i Biotecnologia de la Universitat Rovira i Virgili; Dr. Gerard Pujadas Anguiano, professor titular del Departament de Bioquímica i Biotecnologia de la Universitat Rovira i Virgili; i Dr. Miquel Mulero Abellán, professor lector del Departament de Bioquímica i Biotecnologia de la Universitat Rovira i Virgili. CERTIFIQUEM Que aquest treball, titulat “Identification of natural products as antidiabetic agents using computer-aided drug design methods”, que presenta Laura Guasch Pàmies per a l‟obtenció del títol de Doctora, ha estat realitzat sota la nostra direcció al Departament de Bioquímica i Biotecnologia d‟aquesta universitat i que acompleix els requeriments per poder optar a Menció Europea. Tarragona, 4 de novembre del 2011 Dr. Santiago Garcia Dr. Gerard Pujadas Dr. Miquel Mulero Vallvé Anguiano Abellán UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 AGRAÏMENTS Aquests quatre anys han estat per mi com el camí cap a Ítaca, ric en experiències i en coneixement, i sobretot amb molts bons records. Vull agrair a tota la gent que ha compartit amb mi cadascun d‟aquests moments, a tots i totes moltes gràcies. La realització d‟aquesta tesi no hauria estat possible sense els consells, el coneixement i la motivació per part del Dr. Santi Garcia Vallvé i del Dr. Gerard Pujadas Anguiano. Santi i Gerard, gràcies per la confiança i la llibertat que m‟heu donat durant aquests anys. També vull agrair als membres del Grup de Recerca de Nutrigenòmica que d‟alguna manera o altra han estat partíceps en l‟elaboració d‟aquesta tesi: Prof. Lluís Arola, Prof. Cinta Bladé, Dra. Josepa Salvadó, Dr. Antón Romeu, Dra. Anna Ardèvol, Dra. Mayte Blay, Dr. Juan Fernández, Dr. Miquel Mulero, Dra. Begoña Muguerza, i especialment a la Dra. Montse Pinent. També agrair als tècnics i personal de secretaria del departament per la seva ajuda. I would also like to thank Prof. Klaus Liedl for giving me the opportunity to stay in his group and all the members of the group for the warm welcome I received in Innsbruck. Many thanks to Dr. Gerhard Wolber for your implication in the project. I would like to specially thank Simo, Hannes and Patrick for funny moments. Laura y Leire, tampoco me puedo olvidar de vosotras, que bien nos lo pasamos en Innsbruck, cuántos recuerdos tengo, gracias por vuestra compañía y amistad. Aquesta tesi no hagués estat la mateixa sense els cursos, seminaris, congressos en què he participat durant la meva trajectòria del doctorat. Ells m‟han fet créixer, m‟han donat l‟oportunitat d‟aprendre, de conèixer nous grups i per descomptat de descobrir nous indrets. Tinc un bon record de les persones que he anat coneixent i que plegades hem disfrutat d‟aquestes reunions no només científiques. Els companys de laboratori són un pilar fonamental per un becari pre-doctoral ja que amb ells comparteixes moltes hores tant amb maldecaps com amb alegries i són els que més et comprenen, a tots ells moltes gràcies. Pere, amb tu vaig començar amb arbres filogenètics i sempre has estat un exemple a seguir. Montserrat, gràcies per la teva ajuda en els meus primers farmacòfors i els ànims en tot moment. Albert, com enyoro els jocs de pilota al despatx i els entrenaments del Recre. Lídia, encara que no siguis de l‟àmbit computacional també hi estàs benvinguda, m‟han dit que fas la competència a la Sirenita. Marina, sembla ser que després de donar tants tombs has trobat el teu lloc a Barcelona, molta sort. Esther, sols dir-te que estic molt contenta d‟haver-te conegut i d‟haver viscut tants i tants moments plegades. Gràcies per la teva amistat, alegria i complicitat, i sobretot per donam suport en tot moment. UNIVERSITAT ROVIRA I VIRGILI IDENTIFICATION OF NATURAL PRODUCTS AS ANTIDIABETIC AGENTS USING COMPUTER-AIDED DRUG DESIGN METHODS Laura Guasch Pàmies DL: T. 609-2013 El temps passa, els companys es doctoren, i el despatx es va renovant amb aires de CTNS. Al Toni i al Josep que feu una parella científica fantàstica. A les Annes, Isa, Manuel i Mar, tots vosaltres m‟heu acompanyat a la recta final de la tesi, us desitjo molta sort amb els vostres experiments. Tampoc em puc oblidar dels doctorants que treballeu amb cèl·lules i rates. Anabelooo, gràcies per les teves visites al despatx i les nostres conyes, m‟ho he passat genial amb tu. A la Cris, Ligia i Aleix, gràcies per haver compartit tantes converses al Soteras i haver fet els dinars més amens. A la Lídia i al Víctor, ànims amb les vostres tesis, ja us queda menys. I també a la Neus, Noe, Laura, Ester, Raquel, Husam i Mario. També tinc agraïments pels que ara ja són doctors i ja fan de les seves; a la Gemma, Ximena, Isa, Sabina i David. Als amics de la carrera, que encara que passi el temps sempre trobem algun forat per reunir-nos i posar-nos al dia. Vane, moltes gràcies per ser una gran amiga, i per tots els moments que hem disfrutat. Tessa, gràcies per compartir amb mi descobertes musicals i viatges. Anna, gràcies per haver confiat en mi, i molt ànims que això ja ho tens. Núria, et desitjo molta sort en la teva nova etapa com a professora. Antonio, Xavi i Mike, encara recorodo l‟habitació 101 i lo bé que ens ho vam passar tots plegats. També vull agrair aquesta tesi a Tarragona i a tota la gent que hi he conegut, han estat uns anys genials que mai oblidaré. Idoia i Gis, segur que ens esperen molts festivals i concerts amb o sense ukelele.
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