{"id":49879,"date":"2020-06-04T00:00:00","date_gmt":"2020-06-03T23:00:00","guid":{"rendered":"http:\/\/www.pcb.ub.edu\/researchers-at-irb-barcelona-develop-an-open-access-tool-to-accelerate-drug-discovery\/"},"modified":"2020-11-18T15:06:23","modified_gmt":"2020-11-18T14:06:23","slug":"researchers-at-irb-barcelona-develop-an-open-access-tool-to-accelerate-drug-discovery","status":"publish","type":"post","link":"https:\/\/www.pcb.ub.edu\/en\/researchers-at-irb-barcelona-develop-an-open-access-tool-to-accelerate-drug-discovery\/","title":{"rendered":"Researchers at IRB Barcelona develop an open-access tool to accelerate drug discovery"},"content":{"rendered":"<p>Knowledge of how a molecule interacts with the organism is crucial in order to consider its therapeutic potential. Headed by ICREA researcher Patrick Aloy, the <a href=\"https:\/\/www.irbbarcelona.org\/en\/research\/structural-bioinformatics-and-network-biology\" target=\"_blank\" rel=\"noopener noreferrer\">Structural Bioinformatics and Network Biology (SBNS)<\/a> lab at IRB Barcelona has presented the <a href=\"https:\/\/chemicalchecker.org\/\" style=\"font-weight: 200\" target=\"_blank\" rel=\"noopener noreferrer\">Chemical Checker<\/a>, an on-line open-access tool that provides information on the effects exerted by more than 1M compounds in a wide range of biological settings.<\/p>\n<p>The Chemical Checker, published in Nature Biotechnology, offers a rich portrait of the small molecule data available in the public domain, opening an opportunity for making queries that would otherwise be impossible using chemical information alone.<\/p>\n<p>The SBNB lab has already proven the tool\u2019s potential by reverting Alzheimer\u2019s disease\u2019s gene alterations\u00a0in vitro, using approved drugs and experimental compounds. These scientists have also identified several compounds that could potentially substitute \u2018biologics\u2019 as treatments, such as antibody therapies, which show high specificity and efficiency, but are expensive and prone to pharmacokinetic issues.<\/p>\n<p>\u201cWe envision many applications for the Chemical Checker in the drug discovery process,\u201d explains Aloy \u201csuch as the formulation of logical queries to prioritize drug repositioning and combination opportunities, based on desired bioactivity traits.\u201d<\/p>\n<p>The Chemical Checker has already led to a <a href=\"http:\/\/www.pcb.ub.edu\/portal\/en\/noticies\/-\/noticia\/not_l-irb-barcelona-col-labora-amb-amazon-per-desenvolupar-una-eina-computacional-que-acceleri-la-cerca-de-farmacs-contra-la-covid-19?inheritRedirect=false&amp;redirect=%2Fportal%2Fca%2Fcerca%3Fp_p_id%3Dcercador_WAR_empleatsempresesportlet%26p_p_lifecycle%3D0%26p_p_mode%3Dview%26_cercador_WAR_empleatsempresesportlet_tab%3D3%26_cercador_WAR_empleatsempresesportlet_keywords%3Damazon&amp;backURL=%2Fportal%2Fca%2Fcerca%3Fp_p_id%3Dcercador_WAR_empleatsempresesportlet%26p_p_lifecycle%3D0%26p_p_mode%3Dview%26_cercador_WAR_empleatsempresesportlet_tab%3D3%26_cercador_WAR_empleatsempresesportlet_keywords%3Damazon\" target=\"_blank\" rel=\"noopener noreferrer\">collaboration with Amazon<\/a> to make available an open access database to provide researchers from around the world with an expanded portfolio of molecules with the potential to fight COVID-19. Amazon\u2019s expertise in text-mining, machine learning and natural language understanding has allowed the automatic analysis of scientific articles to be incorporated into the Chemical Checker. The COVID platform is available here:\u00a0\u00a0<a href=\"https:\/\/sbnb.irbbarcelona.org\/covid19\/\" target=\"_blank\" rel=\"noopener noreferrer\">https:\/\/sbnb.irbbarcelona.org\/covid19\/<\/a>.<\/p>\n<p><strong>\u25ba Reference article<\/strong>:\u00a0Miquel Duran-Frigola, Eduardo Pauls, Oriol Guitart-Pla, Martino Bertoni, V\u00edctor Alcalde, David Amat, Teresa Juan-Blanco &amp; Patrick Aloy. &#8220;<a href=\"https:\/\/www.nature.com\/articles\/s41587-020-0502-7\" style=\"font-weight: 200\" target=\"_blank\" rel=\"noopener noreferrer\">Extending the small-molecule similarity principle to all levels of biology with the Chemical Checker<\/a>&#8220;. Nature Biotechnology\u00a0(2020) DOI:10.1038\/s41587-020-0502-7<\/p>\n<p><strong>\u25ba For further information<\/strong>: <a href=\"https:\/\/www.irbbarcelona.org\/en\/news\/an-open-access-tool-to-accelerate-drug-discovery\" target=\"_blank\" rel=\"noopener noreferrer\">Barcelona website [+]<\/a><\/p>\n<p>\u00a0<\/p>\n<p style=\"font-size:16px;font-family:Ciutadella, arial, sans-serif;text-align:justify\">\u00a0<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Researchers from the Institute for Research in Biomedicine\u00a0(<a href=\"http:\/\/www.pcb.ub.edu\/portal\/en\/cerca?p_p_id=cercador_WAR_empleatsempresesportlet&amp;p_p_lifecycle=0&amp;p_p_state=maximized&amp;p_p_mode=view&amp;p_p_col_id=column-1&amp;p_p_col_count=1&amp;_cercador_WAR_empleatsempresesportlet_jspPage=%2Fhtml%2Fcommon%2Fdetall-empresa.jsp&amp;_cercador_WAR_empleatsempresesportlet_empresaId=ENT_000001&amp;_cercador_WAR_empleatsempresesportlet_redirect=%2Fportal%2Fca%2Fcerca%3Fp_p_id%3Dcercador_WAR_empleatsempresesportlet%26p_p_lifecycle%3D0%26p_p_mode%3Dview%26_cercador_WAR_empleatsempresesportlet_keywords%3Dirb%26_cercador_WAR_empleatsempresesportlet_tab%3D1\" target=\"_blank\" rel=\"noopener noreferrer\">IRB Barcelona<\/a>) at PCB, headed by ICREA researcher Patrick Aloy, have developed the\u00a0<a href=\"https:\/\/chemicalchecker.org\/\" target=\"_blank\" rel=\"noopener noreferrer\">Chemical Checker,<\/a> an on-line open-access tool that provides harmonized and ready-to-use\u00a0information on more than 1M small molecules\u00a0in a wide range of biological settings.<\/p>\n<p>\u00a0<\/p>\n","protected":false},"author":1,"featured_media":54545,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"inline_featured_image":false,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-49879","post","type-post","status-publish","format-standard","has-post-thumbnail","category-uncategorized"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.4 - 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