{"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":"2024-12-13T11:12:31","modified_gmt":"2024-12-13T10:12:31","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 chemical biology 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<h3> 33<\/h3>\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=\"-1\"><i title=\"Expand\">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=\"-1\"><i title=\"Expand\">Expand<\/i><\/a>\n\t\t\t\t\t<ul>\n<li>Manen-Freixa L, *Antolin AA. <strong>Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery. Expert Opin Drug Discov<\/strong>. 19, 1043-1069 (2024).<\/li>\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, 31, 973-988 (2024).<\/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>Hu H, Tjaden A, Knapp S, *Antolin AA, *M\u00fcller S. <strong>A machine learning and live-cell imaging tool kit uncovers small molecules induced phospholipidosis<\/strong>. Cell Chem Biol. 30, 1634-1651(2023).<\/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=\"-1\"><i title=\"Expand\">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=\"https:\/\/procure-oncology.com\/portfolio-item\/antolins-lab\/\" 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<h4>\n\t\t<a href=\"https:\/\/twitter.com\/antolin_aa\" title=\"@Prantolin_aa\" target=\"_blank\" rel=\"noopener\">\n\t\t@Prantolin_aa\n\t\t<\/a>\n\t<\/h4>\n<h4>\n\t\t<a href=\"https:\/\/twitter.com\/antolin_aa\" title=\"@antolin_aa\" target=\"_blank\" rel=\"noopener\">\n\t\t@antolin_aa\n\t\t<\/a>\n\t<\/h4>\n<h4>\n\t\t<a href=\"https:\/\/www.chemicalprobes.org\/people\" title=\"Chemical Probes Portal\" target=\"_blank\" rel=\"noopener\">\n\t\tChemical Probes Portal\n\t\t<\/a>\n\t<\/h4>\n<h4>\n\t\t<a href=\"https:\/\/aircheck.ai\/mainframe\" title=\"MAINFRAME\" target=\"_blank\" rel=\"noopener\">\n\t\tMAINFRAME\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\tPredoctoral researchers\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\tScientific support\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\tPredoctoral researchers\n\t\t\t\t\t\t\t\t\t\t\t<ul>\n<li>Ruvo, Luca<\/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<h2>\n\t\tRelated news\n\t<\/h2>\n\t<meta itemscope itemprop=\"mainEntityOfPage\" itemtype=\"https:\/\/schema.org\/WebPage\" itemid=\"http:\/\/24581\" content=\"Advances in chemical biology are fueled by multidisciplinarity and teamwork\" \/><meta itemprop=\"datePublished\" content=\"2024-09-20\" \/><meta itemprop=\"dateModified\" content=\"2024-11-21\" \/><meta itemprop=\"name\" content=\"IDIBELL\"\/><meta itemprop=\"url\" 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-->\n\n","protected":false},"excerpt":{"rendered":"<p>Medicinal chemistry &#038; drug design Summary 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 [&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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