{"id":24848,"date":"2024-11-21T12:02:18","date_gmt":"2024-11-21T11:02:18","guid":{"rendered":"https:\/\/idibell.cat\/en\/?page_id=24848"},"modified":"2024-11-21T15:49:55","modified_gmt":"2024-11-21T14:49:55","slug":"medicinal-chemistry-drug-design","status":"publish","type":"page","link":"https:\/\/idibell.cat\/en\/research\/cancer-area\/molecular-mechanisms-and-experimental-therapy-in-oncology-program-oncobell\/medicinal-chemistry-drug-design\/","title":{"rendered":"Medicinal Chemistry &#038; Drug Design"},"content":{"rendered":"\n<h1>\n\t\tMedicinal chemistry &#038; drug design\n\t<\/h1>\n<h3>\n\t\tSummary\n\t<\/h3>\n\t<p>The medicinal chemistry and drug design research group is a computational and experimental group that uses organic chemistry, biology, and data science tools to better understand the mechanism of action of drugs to use them more efficiently in precision medicine and design new, safer and more effective drugs for the treatment of cancer. The group also actively collaborates in international open science initiatives in biological chemistry focused on the collection, standardization and accessibility of Big Data. Finally, it also develops its own artificial intelligence tools to accelerate drug discovery.<\/p>\n<> <\/>\n<h2>Publications<\/h2>\n\t\t\t\t<img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/idibell.cat\/en\/wp-content\/uploads\/sites\/2\/2024\/11\/Medicinal-chemistry-drug-design.jpg\" alt=\"Medicinal-chemistry-&amp;-drug-design\" itemprop=\"image\" height=\"300\" width=\"600\" title=\"Medicinal-chemistry-&amp;-drug-design\" onerror=\"this.style.display='none'\"  \/>\n\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--label-0\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-0\">Strategic lines<\/a>\n\t\t\t\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--icon-0\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-0\"><i>Expand<\/i><\/a>\n\t\t\t\t\t<ul>\n<li>Developing open science chemical biology resources.<\/li>\n<li>Harnessing the effects of drugs at the systems level in precision medicine.<\/li>\n<li>Exploiting Big Data and AI to discover more efficacious drugs.<\/li>\n<\/ul>\n\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--label-1\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-1\">Selected Publications<\/a>\n\t\t\t\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--icon-1\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-1\"><i>Expand<\/i><\/a>\n\t\t\t\t\t<ul>\n<li>Hu H, Serra C, Zhang W, Scrivo A, Fernandez-Carasa I, Consiglio A, Aytes A, Pujana MA, *Llebaria A, *Antolin AA. <strong>Identification of differential biological activity and synergy between the PARP inhibitor rucaparib and its major metabolite.<\/strong> Cell Chemical Biology, in press.<\/li>\n<li>di Micco,+ Antolin AA,+ Mitsopoulos C, Villasclaras Fernandez E, Mica IL, et al. <strong>canSAR: update to the cancer translational research and drug discovery knowledgebase<\/strong>. Nucleic Acids Res. 51, D1212-D1219 (2023).<\/li>\n<li>Antolin AA, Sanfelice D, Crisp A, Villasclaras Fernandez E, Mica IL, et al. <strong>The Chemical Probes Portal: an expert review based public resource to empower chemical probe assessment, selection and use<\/strong>. Nucleic Acids Res. 51, D1492-D1502 (2023).<\/li>\n<li>*Antolin AA, Clarke PA, Collins I, *Workman P, *Al-Lazikani B. <strong>Evolution of kinase polypharmacology across HSP90 drug discovery<\/strong>. Cell Chemical Biology. 28, 1-13 (2021).<\/li>\n<li>*Workman P, *Antolin AA, *Al-Lazikani B. <strong>Transforming cancer drug discovery with Big Data and AI<\/strong>. Expert Opin Drug Discov. 14, 1089-1095 (2019).<\/li>\n<\/ul>\n\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--label-2\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-2\">Selected Projects<\/a>\n\t\t\t\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-accordion--icon-2\" tabindex=\"0\" aria-controls=\"fl-accordion--panel-2\"><i>Expand<\/i><\/a>\n\t\t\t\t\t<ul>\n<li><strong>Systems-based Characterization of Drug Metabolites to Exploit them in Precision medicine<\/strong>. Agency: Spanish Ministry of Economy (MINECO) &#8211; Plan Nacional. IP: Dr. Albert Antolin. 2023-2026. Amount: 130.000 \u20ac.<\/li>\n<li><strong>Systems Drug Discovery to Tackle Cancer Drug Resistance<\/strong>. Agency: Instituto de Salud Carlos III (ISCIII) &#8211; Miguel Servet Fellowship. IP: Dr. Albert Antolin. 2023 &#8211; 2028. Amount: 240.000 \u20ac.<\/li>\n<li><strong>Rational development of KRAS inhibitors that simultaneously inhibit kinases<\/strong>. Agency: VIVAN Therapeutics (London, UK) &#8211; industrial collaboration. IP: Dr. Albert Antolin (coordinator), Prof. Paul Workman (ICR) and Dr. Nahuel Villegas (VIVAN). 2023 &#8211; June 2024. Amount: 50.000 \u00a3<\/li>\n<li><strong>Systems Drug Discovery to Tackle Cancer Drug Resistance<\/strong>. Agency: La Caixa Foundation. IP: Dr. Albert Antolin. 2022 &#8211; 2023. Amount: 300.000 \u20ac.<\/li>\n<\/ul>\n\t\t\t\t<img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/idibell.cat\/en\/wp-content\/uploads\/sites\/2\/2023\/01\/Albert-Antolin-Hernandez-150x150.jpg\" alt=\"Albert-Antolin-Hernandez\" itemprop=\"image\" height=\"150\" width=\"150\" title=\"Albert-Antolin-Hernandez\" onerror=\"this.style.display='none'\"  \/>\n<h4>\n\t\tAntolin Hernandez, Albert\n\t<\/h4>\n<h4>\n\t\t<a href=\"mailto:aantolin@idibell.cat\" title=\"aantolin@idibell.cat\" target=\"_blank\" rel=\"noopener\">\n\t\taantolin@idibell.cat\n\t\t<\/a>\n\t<\/h4>\n<h2>\n\t\tPrincipal investigators\n\t<\/h2>\n\t\t\t\t<img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/idibell.cat\/en\/wp-content\/uploads\/sites\/2\/2023\/01\/Albert-Antolin-Hernandez-150x150.jpg\" alt=\"Albert-Antolin-Hernandez\" itemprop=\"image\" height=\"150\" width=\"150\" title=\"Albert-Antolin-Hernandez\" onerror=\"this.style.display='none'\"  \/>\n<h4>\n\t\tAntolin Hernandez, Albert\n\t<\/h4>\n<h4>\n\t\t<a href=\"mailto:aantolin@idibell.cat\" title=\"aantolin@idibell.cat\" target=\"_blank\" rel=\"noopener\">\n\t\taantolin@idibell.cat\n\t\t<\/a>\n\t<\/h4>\n<h4>\n\t\tRELATED LINKS\n\t<\/h4>\n<h4>\n\t\t<a href=\"http:\/\/ico.gencat.cat\/ca\/recerca\/Programa-ProCURE\/index.html\" title=\"ProCURE\" target=\"_blank\" rel=\"noopener\">\n\t\tProCURE\n\t\t<\/a>\n\t<\/h4>\n<h4>\n\t\t<a href=\"https:\/\/twitter.com\/ProcureICO\" title=\"@ProcureICO\" target=\"_blank\" rel=\"noopener\">\n\t\t@ProcureICO\n\t\t<\/a>\n\t<\/h4>\n<h2>\n\t\tTeam\n\t<\/h2>\n\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-tabs--label-0\" data-index=\"0\" aria-selected=\"true\" aria-controls=\"fl-tabs--panel-0\" aria-expanded=\"true\" role=\"tab\" tabindex=\"0\">\t\t\t\tGroup leaders \t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-tabs--label-1\" data-index=\"1\" aria-selected=\"false\" aria-controls=\"fl-tabs--panel-1\" aria-expanded=\"false\" role=\"tab\" tabindex=\"0\">\t\t\t\tPostdoctoral researchers\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-tabs--label-2\" data-index=\"2\" aria-selected=\"false\" aria-controls=\"fl-tabs--panel-2\" aria-expanded=\"false\" role=\"tab\" tabindex=\"0\">\t\t\t\tScientific support\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t<a href=\"#\" id=\"fl-tabs--label-3\" data-index=\"3\" aria-selected=\"false\" aria-controls=\"fl-tabs--panel-3\" aria-expanded=\"false\" role=\"tab\" tabindex=\"0\">\t\t\t\tStudents\t\t\t\t<\/a>\n\t\t\t\t\t\tGroup leaders \n\t\t\t\t\t\t\t\t\t\t\t<ul>\n<li>Antolin Hernandez, Albert<\/li>\n<\/ul>\n\t\t\t\t\t\tPostdoctoral researchers\n\t\t\t\t\t\t\t\t\t\t\t<ul>\n<li>Manen Freixa, Leticia<\/li>\n<\/ul>\n\t\t\t\t\t\tScientific support\n\t\t\t\t\t\t\t\t\t\t\t<ul>\n<li>Santos Gil, Santiago<\/li>\n<\/ul>\n\t\t\t\t\t\tStudents\n\t\t\t\t\t\t\t\t\t\t\t<ul>\n<li>Ruvo, Luca<\/li>\n<\/ul>\n<h2>\n\t\tRelated news\n\t<\/h2>\n\t<meta itemscope itemprop=\"mainEntityOfPage\" itemtype=\"https:\/\/schema.org\/WebPage\" itemid=\"http:\/\/24581\" 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[&hellip;]<\/p>\n","protected":false},"author":8,"featured_media":0,"parent":448,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"site-sidebar-layout":"no-sidebar","site-content-layout":"page-builder","ast-site-content-layout":"full-width-container","site-content-style":"unboxed","site-sidebar-style":"unboxed","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"disabled","ast-breadcrumbs-content":"","ast-featured-img":"disabled","footer-sml-layout":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"default","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"set","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center 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