{"id":4495,"date":"2026-06-03T22:33:19","date_gmt":"2026-06-03T20:33:19","guid":{"rendered":"https:\/\/www.ub.edu\/allo3d\/?page_id=4495"},"modified":"2026-06-03T22:53:12","modified_gmt":"2026-06-03T20:53:12","slug":"investigacion","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/allo3d\/es\/investigacion\/","title":{"rendered":"Investigaci\u00f3n"},"content":{"rendered":"\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-1l4q7ll-6f2f374973e5ead6b2fca90d52974a80\">\n.avia-section.av-1l4q7ll-6f2f374973e5ead6b2fca90d52974a80{\nbackground-repeat:no-repeat;\nbackground-image:url(https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/04\/fondo5network-1500x430.png);\nbackground-position:50% 50%;\nbackground-attachment:scroll;\n}\n.avia-section.av-1l4q7ll-6f2f374973e5ead6b2fca90d52974a80 .av-section-color-overlay{\nopacity:0.5;\nbackground-color:#000000;\n}\n<\/style>\n<div id='av_section_1'  class='avia-section av-1l4q7ll-6f2f374973e5ead6b2fca90d52974a80 main_color avia-section-default avia-no-border-styling  avia-builder-el-0  el_before_av_section  avia-builder-el-first  avia-full-stretch avia-bg-style-scroll av-section-color-overlay-active container_wrap sidebar_right'  data-section-bg-repeat='stretch'><div class=\"av-section-color-overlay-wrap\"><div class=\"av-section-color-overlay\"><\/div><div class='container av-section-cont-open' ><main  role=\"main\" itemprop=\"mainContentOfPage\"  class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-4495'><div class='entry-content-wrapper clearfix'>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a\">\n#top .av-special-heading.av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a{\npadding-bottom:10px;\ncolor:#ffffff;\n}\nbody .av-special-heading.av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a .special-heading-inner-border{\nborder-color:#ffffff;\n}\n.av-special-heading.av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lu6xwpd4-d87eeb1c89d180358536003553a3d59a av-special-heading-h1 custom-color-heading blockquote modern-quote  avia-builder-el-1  avia-builder-el-no-sibling '><h1 class='av-special-heading-tag '  itemprop=\"headline\"  >Investigaci\u00f3n<\/h1><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div>\n\n<\/div><\/div><\/main><!-- close content main element --><\/div><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-12qereh-b531adb61cffd28e4e4c013764fb55a9\">\n.avia-section.av-12qereh-b531adb61cffd28e4e4c013764fb55a9{\nbackground-color:#ffffff;\nbackground-image:unset;\n}\n.avia-section.av-12qereh-b531adb61cffd28e4e4c013764fb55a9 .av-extra-border-element .av-extra-border-inner{\nbackground-color:#ffffff;\n}\n<\/style>\n<div id='av_section_2'  class='avia-section av-12qereh-b531adb61cffd28e4e4c013764fb55a9 main_color avia-section-large avia-no-border-styling  avia-builder-el-2  el_after_av_section  el_before_av_section  avia-bg-style-scroll av-arrow-down-section container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-4495'><div class='entry-content-wrapper clearfix'>\n<section  class='av_textblock_section av-lxji6qnl-62b8802c00e70df5c30b46e6be50b048 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><h3>Nuestro grupo se centra en comprender c\u00f3mo la din\u00e1mica conformacional de las biomacromol\u00e9culas afecta las relaciones estructura-actividad. Nos interesa el desarrollo de nuevas estrategias terap\u00e9uticas para las enfermedades cardiometab\u00f3licas (ECV) y otros factores de riesgo como la diabetes tipo 2 y la obesidad.<\/h3>\n<\/div><\/section>\n<div class='flex_column_table av-3c19w9-01d453045375e1e2c9956a94cdb21118 sc-av_one_half av-equal-height-column-flextable'>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-3c19w9-01d453045375e1e2c9956a94cdb21118\">\n.flex_column.av-3c19w9-01d453045375e1e2c9956a94cdb21118{\nborder-radius:0px 0px 0px 0px;\npadding:0px 0px 0px 0px;\n}\n<\/style>\n<div  class='flex_column av-3c19w9-01d453045375e1e2c9956a94cdb21118 av_one_half  avia-builder-el-4  el_after_av_textblock  el_before_av_one_half  first flex_column_table_cell av-equal-height-column av-align-middle av-zero-column-padding  column-top-margin'     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44\">\n#top .av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44{\npadding-bottom:0;\ncolor:#000000;\nfont-size:30px;\n}\nbody .av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .av-special-heading-tag{\nfont-size:30px;\n}\n.av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .special-heading-inner-border{\nborder-color:#000000;\n}\n.av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .av-subheading{\nfont-size:15px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-36j89l-5ee6e5f3247985702ac0ffc4c3845d44 av-special-heading-h2 custom-color-heading blockquote modern-quote  avia-builder-el-5  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Diabetes<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-v22eyx-162341d2cb9dda7a910d26edfe845d49\">\n#top .hr.av-v22eyx-162341d2cb9dda7a910d26edfe845d49{\nmargin-top:30px;\nmargin-bottom:30px;\n}\n.hr.av-v22eyx-162341d2cb9dda7a910d26edfe845d49 .hr-inner{\nwidth:50px;\nborder-color:#000000;\n}\n<\/style>\n<div  class='hr av-v22eyx-162341d2cb9dda7a910d26edfe845d49 hr-custom  avia-builder-el-6  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n<section  class='av_textblock_section av-t128rt-ac8935bf11c255c557bca6d04c8eac6c '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><h3>La AMPK es una prote\u00edna quinasa de serina\/treonina que desempe\u00f1a un papel clave en la homeostasis energ\u00e9tica celular.<\/h3>\n<\/div><\/section><br \/>\n<section  class='av_textblock_section av-qxi4e1-80df6d3008aab4c14125f923ea87e722 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>Se trata de un complejo heterotrim\u00e9rico compuesto por una subunidad catal\u00edtica (\u03b1) y dos componentes reguladores (\u03b2 y \u03b3). Estos componentes est\u00e1n codificados por m\u00faltiples genes, lo que da lugar a dos isoformas \u03b1, dos \u03b2 y tres \u03b3 que forman hasta 12 complejos diferentes. Estos complejos presentan una expresi\u00f3n dependiente del tejido y muestran diferencias notables en su actividad espec\u00edfica y en su sensibilidad a los activadores alost\u00e9ricos.<\/p>\n<p>La regulaci\u00f3n de la AMPK se controla con precisi\u00f3n mediante diversos mecanismos: alost\u00e9rico, indirecto y directo. La activaci\u00f3n directa de la AMPK se logra mediante moduladores que se unen al sitio alost\u00e9rico de f\u00e1rmacos y metabolitos (ADaM), situado en la interfaz entre las subunidades \u03b1 y \u03b2, promoviendo as\u00ed un mecanismo de activaci\u00f3n independiente de la fosforilaci\u00f3n de la Thr172. Por ejemplo, la uni\u00f3n del activador tienopiridona A-769662 incrementa la actividad de la AMPK en m\u00e1s de 90 veces cuando la Ser108 del dominio CBM de la subunidad \u03b2 est\u00e1 fosforilada. En los \u00faltimos a\u00f1os se han descrito varios activadores directos de la AMPK. Sorprendentemente, algunos presentan una marcada selectividad de isoforma, mientras que otros carecen de ella y, por lo tanto, se denominan panactivadores. El dise\u00f1o de compuestos selectivos que act\u00faen sobre isoformas espec\u00edficas de la subunidad AMPK constituye un importante foco de investigaci\u00f3n, debido a la especificidad de su distribuci\u00f3n tisular. Por consiguiente, es necesaria la b\u00fasqueda de nuevos activadores de la AMPK con potencial terap\u00e9utico para el tratamiento de enfermedades metab\u00f3licas, que presenten efectos beneficiosos tanto vasculares como metab\u00f3licos.<\/p>\n<p>M\u00e1s espec\u00edficamente, nuestros objetivos principales de esta l\u00ednea de investigaci\u00f3n son i) obtener un modelo completo de AMPK a2b2g1, directamente relacionado con la diabetes tipo 2, ii) dise\u00f1ar un modulador espec\u00edfico para el modelo de AMPK a2b2g1 directamente relacionado con la diabetes tipo 2, y iii) finalmente, nuestro proyecto a largo plazo est\u00e1 relacionado con el desarrollo de un algoritmo de aprendizaje autom\u00e1tico para revelar la red alost\u00e9rica en AMPK, que posteriormente se puede extrapolar a otros sistemas complejos.<\/p>\n<\/div><\/section><\/p><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-10ufwzd-47ac1daf0c9929bdcdb06b55b5fe92c5\">\n.flex_column.av-10ufwzd-47ac1daf0c9929bdcdb06b55b5fe92c5{\nborder-radius:0px 0px 0px 0px;\npadding:0px 0px 0px 0px;\n}\n<\/style>\n<div  class='flex_column av-10ufwzd-47ac1daf0c9929bdcdb06b55b5fe92c5 av_one_half  avia-builder-el-9  el_after_av_one_half  avia-builder-el-last  flex_column_table_cell av-equal-height-column av-align-middle av-zero-column-padding  column-top-margin'     ><style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-sub-av-h6xvop-37b2d423e8c3681dd8e0cce6d19f04ef\">\n.av-hotspot-image-container .av-image-hotspot.av-ggfvjt-c581c280dfcdc456d8432eb004ffbeae{\ntop:42.7%;\nleft:62.7%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-ggfvjt-c581c280dfcdc456d8432eb004ffbeae .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-ggfvjt-c581c280dfcdc456d8432eb004ffbeae .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n.av-hotspot-image-container .av-image-hotspot.av-dripzd-bbf4fdd58464e9ddb9f50a2429252be2{\ntop:19.4%;\nleft:19.9%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-dripzd-bbf4fdd58464e9ddb9f50a2429252be2 .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-dripzd-bbf4fdd58464e9ddb9f50a2429252be2 .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n.av-hotspot-image-container .av-image-hotspot.av-c3zl7d-d65320c9ba76eae1bf240b6e7688d6bc{\ntop:82.5%;\nleft:71%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-c3zl7d-d65320c9ba76eae1bf240b6e7688d6bc .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-c3zl7d-d65320c9ba76eae1bf240b6e7688d6bc .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n<\/style>\n<div  class='av-hotspot-image-container av-h6xvop-37b2d423e8c3681dd8e0cce6d19f04ef  avia-builder-el-10  avia-builder-el-no-sibling  av-hotspot-numbered av-mobile-fallback-active  av-non-fullwidth-hotspot-image'  itemprop=\"image\" itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/ImageObject\" ><div class='av-hotspot-container'><div class='av-hotspot-container-inner-cell'><div class='av-hotspot-container-inner-wrap'><div class='av-image-hotspot av-ggfvjt-c581c280dfcdc456d8432eb004ffbeae av-image-hotspot-1 ' data-avia-tooltip-position='bottom' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-below av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;strong&gt;Sitio ADaM:&lt;\/strong&gt; bolsillo de uni\u00f3n alost\u00e9rico en el que se unen los moduladores directos.&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>1<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><div class='av-image-hotspot av-dripzd-bbf4fdd58464e9ddb9f50a2429252be2 av-image-hotspot-2 ' data-avia-tooltip-position='bottom' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-below av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;strong&gt;Dominio CBM:&lt;\/strong&gt; en la subunidad \u00df, donde se encuentra pSer108.&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>2<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><div class='av-image-hotspot av-c3zl7d-d65320c9ba76eae1bf240b6e7688d6bc av-image-hotspot-3 ' data-avia-tooltip-position='top' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-above av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;strong&gt;P-loop en el dominio quinasa:&lt;\/strong&gt; una porci\u00f3n estructural importante para el dise\u00f1o de adhesivos moleculares alost\u00e9ricos.&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>3<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><img decoding=\"async\" fetchpriority=\"high\" class='wp-image-3601 avia-img-lazy-loading-not-3601 avia_image' src=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/06\/AMPK_Kat-845x684.jpg\" alt='' title='AMPK_Kat'  height=\"684\" width=\"845\"  itemprop=\"thumbnailUrl\" srcset=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/06\/AMPK_Kat-845x684.jpg 845w, https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/06\/AMPK_Kat-495x400.jpg 495w\" sizes=\"(max-width: 845px) 100vw, 845px\" \/><\/div><\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-1 '><div class=\"av-hotspot-fallback-tooltip-count\">1<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<strong>Sitio ADaM:<\/strong> bolsillo de uni\u00f3n alost\u00e9rico en el que se unen los moduladores directos.<\/p>\n<\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-2 '><div class=\"av-hotspot-fallback-tooltip-count\">2<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<strong>Dominio CBM:<\/strong> en la subunidad \u00df, donde se encuentra pSer108.<\/p>\n<\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-3 '><div class=\"av-hotspot-fallback-tooltip-count\">3<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<strong>P-loop en el dominio quinasa:<\/strong> una porci\u00f3n estructural importante para el dise\u00f1o de adhesivos moleculares alost\u00e9ricos.<\/p>\n<\/div><\/div><\/div><\/div><\/div><!--close column table wrapper. Autoclose: 1 -->\n\n<\/div><\/div><\/div><!-- close content main div --><\/div><div class='av-extra-border-element border-extra-arrow-down'><div class='av-extra-border-outer'><div class='av-extra-border-inner'><\/div><\/div><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-1jrddjt-9c55408822e88a64c7889b454fd1722d\">\n.avia-section.av-1jrddjt-9c55408822e88a64c7889b454fd1722d{\nbackground-color:#f8f8f8;\nbackground-image:unset;\n}\n.avia-section.av-1jrddjt-9c55408822e88a64c7889b454fd1722d .av-extra-border-element .av-extra-border-inner{\nbackground-color:#f8f8f8;\n}\n<\/style>\n<div id='av_section_3'  class='avia-section av-1jrddjt-9c55408822e88a64c7889b454fd1722d main_color avia-section-large avia-no-border-styling  avia-builder-el-11  el_after_av_section  el_before_av_section  avia-bg-style-scroll av-arrow-down-section container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  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.av-image-hotspot.av-netq09-4b1d5a57099129497d0becda5de0a8a4{\ntop:45.6%;\nleft:46.1%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-netq09-4b1d5a57099129497d0becda5de0a8a4 .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-netq09-4b1d5a57099129497d0becda5de0a8a4 .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n.av-hotspot-image-container .av-image-hotspot.av-mpd0gp-f5e7b0e0d78c37c2e4400583991f5edb{\ntop:5.5%;\nleft:69.6%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-mpd0gp-f5e7b0e0d78c37c2e4400583991f5edb .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-mpd0gp-f5e7b0e0d78c37c2e4400583991f5edb .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n.av-hotspot-image-container .av-image-hotspot.av-kmywfd-6b10d0357fdbfe215b9e8254c92f33a8{\ntop:54%;\nleft:70.4%;\n}\n.av-hotspot-image-container .av-image-hotspot.av-kmywfd-6b10d0357fdbfe215b9e8254c92f33a8 .av-image-hotspot_inner{\nbackground-color:#481d36;\ncolor:#ffffff;\n}\n.av-hotspot-image-container .av-image-hotspot.av-kmywfd-6b10d0357fdbfe215b9e8254c92f33a8 .av-image-hotspot-pulse{\nbackground-color:#481d36;\n}\n<\/style>\n<div  class='av-hotspot-image-container av-lusixp9d-f937dcb0bfcc674294a911b69a3e0913  avia-builder-el-13  avia-builder-el-no-sibling  av-hotspot-numbered av-mobile-fallback-active  av-non-fullwidth-hotspot-image'  itemprop=\"image\" itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/ImageObject\" ><div class='av-hotspot-container'><div class='av-hotspot-container-inner-cell'><div class='av-hotspot-container-inner-wrap'><div class='av-image-hotspot av-netq09-4b1d5a57099129497d0becda5de0a8a4 av-image-hotspot-1 ' data-avia-tooltip-position='bottom' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-below av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;strong&gt;Sitio de uni\u00f3n de la colina:&lt;\/strong&gt; La colina, un nutriente esencial, se encuentra junto con el bucle de ciste\u00edna que se muestra en amarillo.&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>1<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><div class='av-image-hotspot av-mpd0gp-f5e7b0e0d78c37c2e4400583991f5edb av-image-hotspot-2 ' data-avia-tooltip-position='bottom' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-below av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;b&gt;Glycyl&lt;\/b&gt;&lt;b&gt; radical &lt;\/b&gt;&lt;b&gt;domain&lt;\/b&gt;&lt;b&gt;: &lt;\/b&gt;&lt;span class=&quot;HwtZe&quot; lang=&quot;es&quot;&gt;&lt;span class=&quot;jCAhz ChMk0b&quot;&gt;&lt;span class=&quot;ryNqvb&quot;&gt;contiene el &lt;em&gt;glycyl loop,&lt;\/em&gt; que se sugiere que fluct\u00faa entre una conformaci\u00f3n abierta y una cerrada.&lt;\/span&gt;&lt;\/span&gt;&lt;\/span&gt;&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>2<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><div class='av-image-hotspot av-kmywfd-6b10d0357fdbfe215b9e8254c92f33a8 av-image-hotspot-3 ' data-avia-tooltip-position='bottom' data-avia-tooltip-alignment='centered' data-avia-tooltip-class='av-tt-default-width av-tt-pos-below av-tt-align-centered  av-mobile-fallback-active  main_color av-tt-hotspot' data-avia-tooltip='&lt;p&gt;&lt;strong&gt;Posible \u00e1rea de aproximaci\u00f3n de CutD:&lt;\/strong&gt; hemos planteado la hip\u00f3tesis de que la enzima activadora CutD deber\u00eda aproximarse a esta regi\u00f3n para iniciar la reacci\u00f3n radicalaria.&lt;\/p&gt;\n'><div class='av-image-hotspot_inner'>3<\/div><div class='av-image-hotspot-pulse'><\/div><\/div><img decoding=\"async\" fetchpriority=\"high\" class='wp-image-3606 avia-img-lazy-loading-not-3606 avia_image' src=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/06\/CutCch_PyMOL-e1725546795758-845x684.png\" alt='' title='CutC+ch_PyMOL'  height=\"684\" width=\"845\"  itemprop=\"thumbnailUrl\"  \/><\/div><\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-1 '><div class=\"av-hotspot-fallback-tooltip-count\">1<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<strong>Sitio de uni\u00f3n de la colina:<\/strong> La colina, un nutriente esencial, se encuentra junto con el bucle de ciste\u00edna que se muestra en amarillo.<\/p>\n<\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-2 '><div class=\"av-hotspot-fallback-tooltip-count\">2<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<b>Glycyl<\/b><b> radical <\/b><b>domain<\/b><b>: <\/b><span class=\"HwtZe\" lang=\"es\"><span class=\"jCAhz ChMk0b\"><span class=\"ryNqvb\">contiene el <em>glycyl loop,<\/em> que se sugiere que fluct\u00faa entre una conformaci\u00f3n abierta y una cerrada.<\/span><\/span><\/span><\/p>\n<\/div><\/div><div class='av-hotspot-fallback-tooltip av-image-hotspot-3 '><div class=\"av-hotspot-fallback-tooltip-count\">3<div class=\"avia-arrow\"><\/div><\/div><div class=\"av-hotspot-fallback-tooltip-inner clearfix\"><p>\n<strong>Posible \u00e1rea de aproximaci\u00f3n de CutD:<\/strong> hemos planteado la hip\u00f3tesis de que la enzima activadora CutD deber\u00eda aproximarse a esta regi\u00f3n para iniciar la reacci\u00f3n radicalaria.<\/p>\n<\/div><\/div><\/div><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-1iak0h5-4ef952ded09b0480965f14dd299d516d\">\n.flex_column.av-1iak0h5-4ef952ded09b0480965f14dd299d516d{\nborder-radius:0px 0px 0px 0px;\npadding:0px 0px 0px 0px;\n}\n<\/style>\n<div  class='flex_column av-1iak0h5-4ef952ded09b0480965f14dd299d516d av_one_half  avia-builder-el-14  el_after_av_one_half  avia-builder-el-last  flex_column_table_cell av-equal-height-column av-align-middle av-zero-column-padding  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995\">\n#top .av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995{\npadding-bottom:0;\nfont-size:30px;\n}\nbody .av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 .av-special-heading-tag{\nfont-size:30px;\n}\n.av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 .av-subheading{\nfont-size:14px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-1gfwyqh-d62d0f5ff1e2dd08a594a3bb2fc44995 av-special-heading-h2 blockquote modern-quote  avia-builder-el-15  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Enfermedades Cardiovasculares<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-1dw14y1-6e12d3651a2cd8e16ee525d72bb0affd\">\n#top .hr.av-1dw14y1-6e12d3651a2cd8e16ee525d72bb0affd{\nmargin-top:30px;\nmargin-bottom:30px;\n}\n.hr.av-1dw14y1-6e12d3651a2cd8e16ee525d72bb0affd .hr-inner{\nwidth:50px;\nborder-color:#000000;\n}\n<\/style>\n<div  class='hr av-1dw14y1-6e12d3651a2cd8e16ee525d72bb0affd hr-custom  avia-builder-el-16  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n<section  class='av_textblock_section av-1df7utl-2badb17b95ae30823507d64b512d37fe '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p><strong>Estudios recientes han demostrado que las alteraciones compositivas y funcionales del microbioma intestinal tienen un impacto en las enfermedades metab\u00f3licas y cardiovasculares.<\/strong><\/p>\n<\/div><\/section><br \/>\n<section  class='av_textblock_section av-1biffl5-a11911e4831d898d8b5b149a1f2c5d4b '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><div>\n<div class=\"contingut\">\n<p>Si bien estos hallazgos resaltan el papel crucial del eje intestino-coraz\u00f3n, los resultados han revelado la relevancia de la microbiota en la generaci\u00f3n de metabolitos espec\u00edficos, como la trimetilamina (TMA), con efectos fisiopatol\u00f3gicos.<\/p>\n<p>Esta l\u00ednea de investigaci\u00f3n tiene como objetivo explorar una nueva estrategia terap\u00e9utica para el tratamiento de las enfermedades cardiovasculares (ECV), mediante la investigaci\u00f3n de una enzima prometedora implicada en la regulaci\u00f3n de la funci\u00f3n vascular: la colina trimetilamina (TMA)-liasa, CutC, ubicada en la microbiota intestinal humana. El objetivo final es dise\u00f1ar un modulador de esta enzima que nos permita comprender mejor el eje intestino-coraz\u00f3n en las ECV y, m\u00e1s espec\u00edficamente, regular el efecto de la disbiosis de la microbiota intestinal en estos pacientes; es decir, dise\u00f1ar un compuesto modificador.<\/p>\n<p>M\u00e1s espec\u00edficamente, nuestros principales objetivos en esta l\u00ednea de investigaci\u00f3n son: i) comprender el mecanismo de reacci\u00f3n en el sitio activo de CutC mediante estudios QM\/MM; ii) obtener la estructura 3D de CutD para explorar la formaci\u00f3n del complejo CutC:CutD, y iii) dise\u00f1ar un inhibidor para evitar la formaci\u00f3n de los metabolitos TMA y TMAO. Este \u00faltimo paso podr\u00eda incluir el dise\u00f1o de un inhibidor no covalente y\/o covalente, aprovechando las diferentes v\u00edas que conectan el sitio activo con el espacio externo.<\/p>\n<\/div>\n<\/div>\n<div><\/div>\n<\/div><\/section><\/p><\/div><\/div><!--close column table wrapper. Autoclose: 1 -->\n\n<\/div><\/div><\/div><!-- close content main div --><\/div><div class='av-extra-border-element border-extra-arrow-down'><div class='av-extra-border-outer'><div class='av-extra-border-inner'><\/div><\/div><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-chuzll-cbd21c8d421d982b29a3e30b9a0a425b\">\n.avia-section.av-chuzll-cbd21c8d421d982b29a3e30b9a0a425b{\nbackground-color:#ffffff;\nbackground-image:unset;\n}\n.avia-section.av-chuzll-cbd21c8d421d982b29a3e30b9a0a425b .av-extra-border-element .av-extra-border-inner{\nbackground-color:#ffffff;\n}\n<\/style>\n<div id='av_section_4'  class='avia-section av-chuzll-cbd21c8d421d982b29a3e30b9a0a425b main_color avia-section-large avia-no-border-styling  avia-builder-el-19  el_after_av_section  el_before_av_section  avia-bg-style-scroll av-arrow-down-section container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-4495'><div class='entry-content-wrapper clearfix'>\n<div class='flex_column_table av-bfjj3t-568e796c6f2824b0581a04399976639f sc-av_one_half av-equal-height-column-flextable'>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-bfjj3t-568e796c6f2824b0581a04399976639f\">\n.flex_column.av-bfjj3t-568e796c6f2824b0581a04399976639f{\nborder-radius:0px 0px 0px 0px;\npadding:0px 0px 0px 0px;\n}\n<\/style>\n<div  class='flex_column av-bfjj3t-568e796c6f2824b0581a04399976639f av_one_half  avia-builder-el-20  el_before_av_one_half  avia-builder-el-first  first flex_column_table_cell av-equal-height-column av-align-middle av-zero-column-padding  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee\">\n#top .av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee{\npadding-bottom:0;\nfont-size:30px;\n}\nbody .av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee .av-special-heading-tag{\nfont-size:30px;\n}\n.av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee .av-subheading{\nfont-size:14px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-lujnpg6r-3da02c4163fa0a35115b1dc554d5b4ee av-special-heading-h2 blockquote modern-quote  avia-builder-el-21  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Obesidad vs Enfermedad de Alzheimer<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-92om95-06a7df6ff02ef7ba0f7630467eb6c470\">\n#top .hr.av-92om95-06a7df6ff02ef7ba0f7630467eb6c470{\nmargin-top:30px;\nmargin-bottom:30px;\n}\n.hr.av-92om95-06a7df6ff02ef7ba0f7630467eb6c470 .hr-inner{\nwidth:50px;\nborder-color:#000000;\n}\n<\/style>\n<div  class='hr av-92om95-06a7df6ff02ef7ba0f7630467eb6c470 hr-custom  avia-builder-el-22  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n<section  class='av_textblock_section av-lujnpq1p-f9b4b1e416ab4b29c72be0354d92c3a1 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><h3>El papel de la resistencia a la leptina en la obesidad es bien conocido.<\/h3>\n<\/div><\/section><br \/>\n<section  class='av_textblock_section av-lujnpx5g-c65ce9dd72dd804c0ee006dded9abb28 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><div>\n<div class=\"contingut\">\n<p>Sin embargo, a\u00fan no se ha dilucidado el papel neuroprotector que desempe\u00f1an secuencias espec\u00edficas de la prote\u00edna leptina frente a dos prote\u00ednas caracter\u00edsticas de la enfermedad de Alzheimer.<\/p>\n<p>La enfermedad de Alzheimer (EA) es la forma m\u00e1s com\u00fan de demencia. Actualmente, no existe cura para la EA y hay muy pocas terapias disponibles para aliviar los s\u00edntomas. Los f\u00e1rmacos basados \u200b\u200ben p\u00e9ptidos ofrecen numerosas ventajas, como su alta selectividad, potencia y baja toxicidad. Nuestros colaboradores han demostrado recientemente que los p\u00e9ptidos de leptina son potenciales agentes terap\u00e9uticos en la lucha contra la EA. Esto proporcion\u00f3 la primera evidencia contundente de los efectos neuroprotectores de peque\u00f1os p\u00e9ptidos derivados de la leptina, lo que representa una posible v\u00eda de avance. Sin embargo, los p\u00e9ptidos de leptina no pueden administrarse en forma de comprimidos, ya que se degradan r\u00e1pidamente en el sistema digestivo. Para traducir estos hallazgos en un avance terap\u00e9utico, se requieren mejoras que estabilicen estas mol\u00e9culas, permitiendo una administraci\u00f3n sencilla para el usuario final y manteniendo la actividad biol\u00f3gica. En el proyecto Pep-AD-designer, proponemos un enfoque iterativo que combina la qu\u00edmica sint\u00e9tica y computacional con bioensayos in vitro para dise\u00f1ar nuevos p\u00e9ptidos bioactivos basados \u200b\u200ben leptina con farmacocin\u00e9tica mejorada. Mediante este enfoque interdisciplinario, el proyecto Pep-AD-designer abordar\u00e1 las limitaciones de los p\u00e9ptidos terap\u00e9uticos basados \u200b\u200ben leptina para acercar esta tecnolog\u00eda a ensayos cl\u00ednicos y pruebas in vivo robustas, transformando as\u00ed el desarrollo de f\u00e1rmacos biol\u00f3gicos. Finalmente, prevemos el desarrollo de un m\u00e9todo patentable y eficaz para estabilizar terapias biol\u00f3gicas.<\/p>\n<p>Nuestro objetivo actual es comprender el mecanismo de acci\u00f3n de estos p\u00e9ptidos espec\u00edficos contra la autoagregaci\u00f3n de las prote\u00ednas Ab-amiloide y tau. Este proyecto se desarrolla en colaboraci\u00f3n con la Prof. C. Pubill-Ulldemolins, investigadora principal del Proyecto Generaci\u00f3n de Conocimiento 2023 (PID2022-142623OA-I00). Supervisamos los estudios computacionales que se utilizar\u00e1n para mejorar el dise\u00f1o de estos p\u00e9ptidos con propiedades farmacocin\u00e9ticas optimizadas.<\/p>\n<\/div>\n<\/div>\n<div><\/div>\n<\/div><\/section><\/p><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-f3et5-7cbeb23b39fceffcead1f856cd559f3e\">\n.flex_column.av-f3et5-7cbeb23b39fceffcead1f856cd559f3e{\nborder-radius:0px 0px 0px 0px;\npadding:0px 0px 0px 0px;\nbackground-color:#fcfcff;\n}\n<\/style>\n<div  class='flex_column av-f3et5-7cbeb23b39fceffcead1f856cd559f3e av_one_half  avia-builder-el-25  el_after_av_one_half  avia-builder-el-last  flex_column_table_cell av-equal-height-column av-align-middle av-zero-column-padding  '     ><style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-m1f02rk4-866b7d38b316d025b407646d101fb675\">\n.avia-image-container.av-m1f02rk4-866b7d38b316d025b407646d101fb675 img.avia_image{\nbox-shadow:none;\n}\n.avia-image-container.av-m1f02rk4-866b7d38b316d025b407646d101fb675 .av-image-caption-overlay-center{\ncolor:#ffffff;\n}\n<\/style>\n<div  class='avia-image-container av-m1f02rk4-866b7d38b316d025b407646d101fb675 av-styling- avia-align-center  avia-builder-el-26  avia-builder-el-no-sibling '   itemprop=\"image\" itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/ImageObject\" ><div class=\"avia-image-container-inner\"><div class=\"avia-image-overlay-wrap\"><img decoding=\"async\" fetchpriority=\"high\" class='wp-image-3924 avia-img-lazy-loading-not-3924 avia_image ' src=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/09\/Video_Alzheimer.gif\" alt='' title='Video_Alzheimer'  height=\"720\" width=\"1216\"  itemprop=\"thumbnailUrl\"  \/><\/div><\/div><\/div><\/div><\/div><!--close column table wrapper. Autoclose: 1 -->\n\n<\/div><\/div><\/div><!-- close content main div --><\/div><div class='av-extra-border-element border-extra-arrow-down'><div class='av-extra-border-outer'><div class='av-extra-border-inner'><\/div><\/div><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-vu4czt-5cd21bdd7d024205629bb9bc4f842ba6\">\n.avia-section.av-vu4czt-5cd21bdd7d024205629bb9bc4f842ba6{\nbackground-color:#f8f8f8;\nbackground-image:unset;\n}\n.avia-section.av-vu4czt-5cd21bdd7d024205629bb9bc4f842ba6 .av-extra-border-element .av-extra-border-inner{\nbackground-color:#f8f8f8;\n}\n<\/style>\n<div id='av_section_5'  class='avia-section av-vu4czt-5cd21bdd7d024205629bb9bc4f842ba6 main_color avia-section-small avia-no-border-styling  avia-builder-el-27  el_after_av_section  el_before_av_section  avia-bg-style-scroll av-arrow-down-section container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-4495'><div class='entry-content-wrapper clearfix'>\n<div class='flex_column_table av-m1eune1x-37a5642e402477358dcf089f8b258c66 sc-av_one_half av-break-at-tablet-flextable av-equal-height-column-flextable'>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-m1eune1x-37a5642e402477358dcf089f8b258c66\">\n.flex_column.av-m1eune1x-37a5642e402477358dcf089f8b258c66{\nborder-radius:0px 0px 0px 0px;\npadding:5px 27px 27px 27px;\n}\n<\/style>\n<div  class='flex_column av-m1eune1x-37a5642e402477358dcf089f8b258c66 av_one_half  avia-builder-el-28  el_before_av_one_half  avia-builder-el-first  first av-break-at-tablet flex_column_table_cell av-equal-height-column av-align-middle  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-e7kkg9-b0066adfd4660b150dd2626bbf269a57\">\n#top .av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57{\nmargin:10px 0 0 0;\npadding-bottom:0;\nfont-size:40px;\n}\nbody .av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 .av-special-heading-tag{\nfont-size:40px;\n}\n.av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 .av-subheading{\nfont-size:15px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-e7kkg9-b0066adfd4660b150dd2626bbf269a57 av-special-heading-h2 blockquote modern-quote  avia-builder-el-29  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >QM Skills<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-c2b5a1-517942226b935f1dae21d5453bb78bea\">\n#top .hr.av-c2b5a1-517942226b935f1dae21d5453bb78bea{\nmargin-top:10px;\nmargin-bottom:10px;\n}\n.hr.av-c2b5a1-517942226b935f1dae21d5453bb78bea .hr-inner{\nwidth:50px;\nborder-color:#000000;\n}\n<\/style>\n<div  class='hr av-c2b5a1-517942226b935f1dae21d5453bb78bea hr-custom  avia-builder-el-30  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n<section  class='av_textblock_section av-ap5dux-4c66267ea29e783f18e7b6bbd89217ab '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>Utilizamos c\u00e1lculos de mec\u00e1nica cu\u00e1ntica (QM) para la caracterizaci\u00f3n completa de mol\u00e9culas org\u00e1nicas peque\u00f1as, como la optimizaci\u00f3n de m\u00ednimos, la determinaci\u00f3n de estados de transici\u00f3n o el c\u00e1lculo de diversas propiedades fisicoqu\u00edmicas en disolventes gaseosos e impl\u00edcitos.<\/p>\n<p>Asimismo, hemos empleado c\u00e1lculos semiemp\u00edricos cu\u00e1nticos, DFT y m\u00e9todos post-HF para comprender la interacci\u00f3n entre diferentes interacciones no covalentes o la determinaci\u00f3n de mecanismos de reacci\u00f3n.<\/p>\n<p>Adem\u00e1s, gracias al estudio de diversas metaloprote\u00ednas y prote\u00ednas intr\u00ednsecamente desordenadas (IDP), hemos desarrollado un conocimiento fundamental de la reparametrizaci\u00f3n de sistemas complejos, lo que nos permite modificar espec\u00edficamente algunas caracter\u00edsticas del campo de fuerza.<\/p>\n<\/div><\/section><\/p><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-ggl0qh-a6887e2d8929b610b0a7b542df5084eb\">\n.flex_column.av-ggl0qh-a6887e2d8929b610b0a7b542df5084eb{\nborder-radius:0px 0px 0px 0px;\npadding:27px 27px 27px 27px;\n}\n<\/style>\n<div  class='flex_column av-ggl0qh-a6887e2d8929b610b0a7b542df5084eb av_one_half  avia-builder-el-32  el_after_av_one_half  avia-builder-el-last  av-break-at-tablet flex_column_table_cell av-equal-height-column av-align-middle  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-ecs3zt-f06852424385045b10d75424319e9759\">\n#top .av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759{\npadding-bottom:0;\nfont-size:40px;\n}\nbody .av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759 .av-special-heading-tag{\nfont-size:40px;\n}\n.av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759 .av-subheading{\nfont-size:15px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-ecs3zt-f06852424385045b10d75424319e9759 .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-ecs3zt-f06852424385045b10d75424319e9759 av-special-heading-h2 blockquote modern-quote  avia-builder-el-33  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >MM Skills<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-cigmx5-cafde52b9005b36735228892b07ef643\">\n#top .hr.av-cigmx5-cafde52b9005b36735228892b07ef643{\nmargin-top:10px;\nmargin-bottom:10px;\n}\n.hr.av-cigmx5-cafde52b9005b36735228892b07ef643 .hr-inner{\nwidth:50px;\nborder-color:#000000;\n}\n<\/style>\n<div  class='hr av-cigmx5-cafde52b9005b36735228892b07ef643 hr-custom  avia-builder-el-34  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n<section  class='av_textblock_section av-anm349-44ee6df2b8fa30b7cfb2873acb07fa1e '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>Utilizamos simulaciones de mec\u00e1nica molecular (MM) para caracterizar la din\u00e1mica de las prote\u00ednas en ausencia y presencia de peque\u00f1as mol\u00e9culas org\u00e1nicas o p\u00e9ptidos. Nuestro principal objetivo es comprender la din\u00e1mica estructural de sistemas heter\u00f3meros complejos para entender su efecto sobre la actividad. Con esta informaci\u00f3n, buscamos dise\u00f1ar un nuevo compuesto bioactivo que identifique los puntos clave del sitio activo o dise\u00f1ar nuevas estrategias terap\u00e9uticas basadas en cavidades alost\u00e9ricas que determinen la comunicaci\u00f3n en red.<\/p>\n<p>Adem\u00e1s, hemos centrado nuestra atenci\u00f3n en el proceso de plegamiento y agregaci\u00f3n de peque\u00f1os p\u00e9ptidos, y en la uni\u00f3n de ligandos peque\u00f1os a las interacciones prote\u00edna-prote\u00edna (IPP), donde el grupo ha utilizado ampliamente t\u00e9cnicas de muestreo mejorado, como FEP, metadin\u00e1mica o aMD.<\/p>\n<\/div><\/section><\/p><\/div><\/div><!--close column table wrapper. Autoclose: 1 --><\/div><\/div><\/div><!-- close content main div --><\/div><div class='av-extra-border-element border-extra-arrow-down'><div class='av-extra-border-outer'><div class='av-extra-border-inner'><\/div><\/div><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-mpyjemr9-a87f91f1edf50435edbcea9890aa2ca0\">\n.avia-section.av-mpyjemr9-a87f91f1edf50435edbcea9890aa2ca0{\nbackground-color:#f8f8f8;\nbackground-image:unset;\n}\n<\/style>\n<div id='av_section_6'  class='avia-section av-mpyjemr9-a87f91f1edf50435edbcea9890aa2ca0 main_color avia-section-no-padding avia-no-border-styling  avia-builder-el-36  el_after_av_section  avia-builder-el-last  avia-bg-style-scroll container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-4495'><div class='entry-content-wrapper clearfix'>\n<div class='flex_column_table av-av_one_half-6c34a2a159d2a1e1723ba25c388010c5 sc-av_one_half av-break-at-tablet-flextable av-equal-height-column-flextable'>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-av_one_half-6c34a2a159d2a1e1723ba25c388010c5\">\n.flex_column.av-av_one_half-6c34a2a159d2a1e1723ba25c388010c5{\nborder-radius:0px 0px 0px 0px;\npadding:5px 27px 27px 27px;\n}\n<\/style>\n<div  class='flex_column av-av_one_half-6c34a2a159d2a1e1723ba25c388010c5 av_one_half  avia-builder-el-37  el_before_av_one_half  avia-builder-el-first  first av-break-at-tablet flex_column_table_cell av-equal-height-column av-align-middle  '     ><style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62\">\n.avia-progress-bar-container.av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62 .progress{\nheight:10px;\n}\n<\/style>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-sub-av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62\">\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-f38dc90fd6b07faafc79496be939b157 .bar{\nwidth:100%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-796fd597d0f70670303ecd7e1285fa84 .bar{\nwidth:100%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-14adbd0ed49068d986e7193d01b2d8f6 .bar{\nwidth:90%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-2b9f8014cb18f5b23a82282bcfc7986f .bar{\nwidth:70%;\n}\n<\/style>\n<div  class='avia-progress-bar-container av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62 av-flat-bar av-animated-bar av-small-bar avia_animate_when_almost_visible  avia-builder-el-38  avia-builder-el-no-sibling '><div class='avia-progress-bar av-av_progress_bar-f38dc90fd6b07faafc79496be939b157 icon-bar-no theme-color-bar theme-color-bar icon-bar-no'><div class=\"progressbar-title-wrap\"><div class='progressbar-icon'><span class='progressbar-char' aria-hidden='true' data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Caracterizaci\u00f3n de peque\u00f1os compuestos<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='100'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' data-progress='100'><\/div><\/div><\/div><\/div><div class='avia-progress-bar av-av_progress_bar-796fd597d0f70670303ecd7e1285fa84 icon-bar-no theme-color-bar theme-color-bar icon-bar-no'><div class=\"progressbar-title-wrap\"><div class='progressbar-icon'><span class='progressbar-char' aria-hidden='true' data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Cooperaci\u00f3n entre interacciones no covalentes<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='100'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' data-progress='100'><\/div><\/div><\/div><\/div><div class='avia-progress-bar av-av_progress_bar-14adbd0ed49068d986e7193d01b2d8f6 icon-bar-no theme-color-bar theme-color-bar icon-bar-no'><div class=\"progressbar-title-wrap\"><div class='progressbar-icon'><span class='progressbar-char' aria-hidden='true' data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Estudio de mecanismos de reacci\u00f3n<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='90'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' data-progress='90'><\/div><\/div><\/div><\/div><div class='avia-progress-bar av-av_progress_bar-2b9f8014cb18f5b23a82282bcfc7986f icon-bar-no theme-color-bar theme-color-bar icon-bar-no'><div class=\"progressbar-title-wrap\"><div class='progressbar-icon'><span class='progressbar-char' aria-hidden='true' data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Parametrizaci\u00f3n de metalocompuestos<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='70'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' data-progress='70'><\/div><\/div><\/div><\/div><\/div><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-av_one_half-74a35ad45c4f1be0827eb32da699bb47\">\n.flex_column.av-av_one_half-74a35ad45c4f1be0827eb32da699bb47{\nborder-radius:0px 0px 0px 0px;\npadding:27px 27px 27px 27px;\n}\n<\/style>\n<div  class='flex_column av-av_one_half-74a35ad45c4f1be0827eb32da699bb47 av_one_half  avia-builder-el-39  el_after_av_one_half  avia-builder-el-last  av-break-at-tablet flex_column_table_cell av-equal-height-column av-align-middle  '     ><style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62\">\n.avia-progress-bar-container.av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62 .progress{\nheight:10px;\n}\n<\/style>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-sub-av-av_progress-76bedc044cfd8152c1ebaab3c4ee7c62\">\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-f38dc90fd6b07faafc79496be939b157 .bar{\nwidth:100%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-796fd597d0f70670303ecd7e1285fa84 .bar{\nwidth:100%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-14adbd0ed49068d986e7193d01b2d8f6 .bar{\nwidth:90%;\n}\n#top .avia-progress-bar-container .avia-progress-bar.av-av_progress_bar-2b9f8014cb18f5b23a82282bcfc7986f .bar{\nwidth:70%;\n}\n#top 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data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Simulaciones de MD<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='100'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' data-progress='100'><\/div><\/div><\/div><\/div><div class='avia-progress-bar av-av_progress_bar-8a3ed556c1e7332410ea588781b425dc icon-bar-no theme-color-bar theme-color-bar icon-bar-no'><div class=\"progressbar-title-wrap\"><div class='progressbar-icon'><span class='progressbar-char' aria-hidden='true' data-av_icon='' data-av_iconfont='entypo-fontello'><\/span><\/div><div class='progressbar-title'>Dise\u00f1o de f\u00e1rmacos<\/div><\/div><div class=\"progressbar-percent\" data-timer=\"2200\"><span class='av-bar-counter __av-single-number' data-number='100'>0<\/span>%<\/div><div class=\"progress\"><div class=\"bar-outer\"><div class='bar' 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