{"id":2490,"date":"2024-02-23T10:00:45","date_gmt":"2024-02-23T08:00:45","guid":{"rendered":"https:\/\/webs.uab.cat\/molbiomed\/2024\/02\/23\/j2ifam-2024\/"},"modified":"2024-02-28T14:22:29","modified_gmt":"2024-02-28T12:22:29","slug":"j2ifam-2024","status":"publish","type":"post","link":"https:\/\/webs.uab.cat\/molbiomed\/en\/2024\/02\/23\/j2ifam-2024\/","title":{"rendered":"J2IFAM 2024"},"content":{"rendered":"\n
Understanding COX-2 for the Design of New Cancer Drugs: Computational Study with Specific Photochromic Compounds<\/h5>\n\n

\u00c1lex P\u00e9rez S\u00e1nchez<\/a><\/h4>\n\n

Cyclooxygenases are a family of enzymes essential in the regulation of inflammation and other processes in the human body. There are two main isoforms, COX-1 and COX-2, with different roles and patterns of expression in tissues COX-1 is widely expressed and maintains homeostasis, while COX-2 is restricted to specific regions and it is inducible, especially in at inflamed tissues and cancer cells. COX-2 overexpression is associated with the development of cancer in several types of tumors. To investigate this phenomenon, fluorescent compounds derived from anti-inflammatory drugs are usually experimentally used for the detection of COX-2 in cancer cells.<\/p>\n

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\u00c1lex P\u00e9rez S\u00e1nchez – J2IFAM, ICMol, Parc Cient\u00edfic de la Unviersitat de Val\u00e8ncia<\/figcaption><\/figure>\n<\/div>\n

Using different computational techniques (Molecular Docking, Molecular Dynamics Simulations, QM\/MM and TD-DFT Calculations) we have calculated and analyzed the fluorescence spectra of a photochromic compound bound to the monomer and dimer of human COX-2. The differences between the monomeric and dimeric spectra reveals molecular insights of the protein’s behavior in cells with COX-2 overexpressed. This research provides valuable information for the possible future design of specific drugs for cancer treatments.<\/p>\n

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Assistants to J2IFAM, ICMol, Parc Cient\u00edfic de la Unviersitat de Val\u00e8ncia<\/figcaption><\/figure>\n<\/div>","protected":false},"excerpt":{"rendered":"

Understanding COX-2 for the Design of New Cancer Drugs: Computational Study with Specific Photochromic Compounds \u00c1lex P\u00e9rez S\u00e1nchez Cyclooxygenases are a family of enzymes essential in the regulation of inflammation and other processes in the human body. There are two main isoforms, COX-1 and COX-2, with different roles and patterns of expression in tissues COX-1 […]<\/p>\n","protected":false},"author":2580,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[95,128,168,132,69],"tags":[],"class_list":["post-2490","post","type-post","status-publish","format-standard","hentry","category-congresses","category-cyclooxygenases","category-molecular-docking-en","category-qm-mm-en","category-spectrum"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/posts\/2490","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/comments?post=2490"}],"version-history":[{"count":6,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/posts\/2490\/revisions"}],"predecessor-version":[{"id":2513,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/posts\/2490\/revisions\/2513"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/media?parent=2490"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/categories?post=2490"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/tags?post=2490"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}