{"id":3340,"date":"2014-10-26T14:02:08","date_gmt":"2014-10-26T19:02:08","guid":{"rendered":"http:\/\/sciencemediacentre.ca\/site\/?p=3340"},"modified":"2014-10-31T12:28:59","modified_gmt":"2014-10-31T17:28:59","slug":"screening-software-could-help-find-new-drugs","status":"publish","type":"post","link":"http:\/\/sciencemediacentre.ca\/site\/screening-software-could-help-find-new-drugs\/","title":{"rendered":"Screening software could help find new drugs<img src=\"http:\/\/sciencemediacentre.ca\/site\/wp-content\/uploads\/2014\/01\/canada_flag_icon_small.gif\">"},"content":{"rendered":"<p><a href=\"http:\/\/sciencemediacentre.ca\/site\/wp-content\/uploads\/2013\/12\/SMCC-english2.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-110\" src=\"http:\/\/sciencemediacentre.ca\/site\/wp-content\/uploads\/2013\/12\/SMCC-english2.jpg\" alt=\"SMCC-english2\" width=\"255\" height=\"126\" \/><\/a><\/p>\n<p dir=\"ltr\">A new method of screening molecules for their ability to bind to enzymes and other proteins could help discover potential new drugs.<\/p>\n<p dir=\"ltr\">A newly built model looks at covalent bonding, a much stronger type of chemical attraction but one that is harder to model.\u00a0Computer models that predict which molecules will interact with enzymes have existed for a while, but they\u00a0have been based on the shape of the molecules and weaker types of chemical attraction.<\/p>\n<p dir=\"ltr\">The new system has already found some candidate molecules that covalently bond to certain proteins involved in antibiotic resistance and in inflammation. Because of its potential usefulness, the team has made the system <span style=\"text-decoration: underline;\"><a href=\"http:\/\/covalent.docking.org\/\" target=\"_blank\">freely available on the web<\/a><\/span>.<\/p>\n<p><a href=\"http:\/\/www.nature.com\/nchembio\/journal\/vaop\/ncurrent\/full\/nchembio.1666.html\" target=\"_blank\"><span style=\"text-decoration: underline;\">Original research paper<\/span><\/a>\u00a0published in <em>Nature Chemical Biology\u00a0<\/em>on\u00a0<span class=\"aBn\" tabindex=\"0\" data-term=\"goog_453723367\"><span class=\"aQJ\"><strong>October 26, 2014<\/strong>.<\/span><\/span><\/p>\n<p><span style=\"text-decoration: underline;\"><em><strong>Names and affiliations of selected\u00a0authors<\/strong><\/em><\/span><\/p>\n<h4><a href=\"http:\/\/bkslab.org\/\" target=\"_blank\">Brian Shoichet<\/a>, University of Toronto, Ontario and University of California San Francisco, U.S.A.<\/h4>\n","protected":false},"excerpt":{"rendered":"<p>A new method of screening molecules for their ability to bind to enzymes and other proteins could help discover potential new drugs. A newly built model looks at covalent bonding, a much stronger type of chemical attraction but one that is harder to model.\u00a0Computer models that predict which molecules will interact with enzymes have existed [&hellip;]<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[25],"tags":[32,51,53,50,1011],"class_list":["post-3340","post","type-post","status-publish","format-standard","hentry","category-paper-of-interest","tag-chemistry","tag-health","tag-medicine","tag-ontario","tag-technology"],"jetpack_featured_media_url":"","jetpack_shortlink":"https:\/\/wp.me\/p4DqbN-RS","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/posts\/3340","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/comments?post=3340"}],"version-history":[{"count":2,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/posts\/3340\/revisions"}],"predecessor-version":[{"id":3395,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/posts\/3340\/revisions\/3395"}],"wp:attachment":[{"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/media?parent=3340"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/categories?post=3340"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/sciencemediacentre.ca\/site\/wp-json\/wp\/v2\/tags?post=3340"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}