{"id":6976,"date":"2024-08-18T19:43:48","date_gmt":"2024-08-18T19:43:48","guid":{"rendered":"https:\/\/en.copharm.uobaghdad.edu.iq\/?p=6976"},"modified":"2024-08-18T19:43:48","modified_gmt":"2024-08-18T19:43:48","slug":"molecular-modeling-synthesis-and-preliminary-antiproliferative-activity-of-124-triazole-schiff-base-derivatives-as-histone-deacetylase-inhibitors","status":"publish","type":"post","link":"https:\/\/en.copharm.uobaghdad.edu.iq\/?p=6976","title":{"rendered":"Molecular Modeling, Synthesis, and Preliminary Antiproliferative Activity of 1,2,4-Triazole-Schiff Base Derivatives as Histone Deacetylase inhibitors"},"content":{"rendered":"<div class=\"wpb-content-wrapper\"><p>[vc_row][vc_column][vc_column_text]<\/p>\n<p style=\"text-align: justify;\"><span style=\"font-size: 19px;\">The College of Pharmacy discussed the MSc thesis entitled \u201cMolecular Modeling, Synthesis, and Preliminary Antiproliferative Activity of 1,2,4-Triazole-Schiff Base Derivatives as Histone Deacetylase Inhibitors&#8221;\u00a0 by the student Zaid Mahmood Mohammed and the supervisor, Assistant Professor Dr. Ayad Abed Ali Al-Hamashi, at the Pharmaceutical Chemistry Department.The study aimed to design compounds that inhibit the histone deacetylase enzyme virtually by molecular modeling software\u2019s chemical synthesis of these compounds by the proper organic synthesis method, and <em>in vitro<\/em> cytotoxic evaluation has been made up by the MTT assay. The study included amide bond formation between the starting material of 4-formylbenzoic acid and 3-amino-1,2,4-triazole using the coupling reagents (EDC-HCl, DMAP, and HOBt), followed by a Schiff base reaction between the produced aldehyde intermediate and various substituted anilines to afford the final compounds. The results showed that compounds <strong>K1<\/strong>, <strong>K2<\/strong>, and <strong>K5<\/strong> showed comparable antiproliferative activity with vorinostat against HeLa cells. Most interestingly, compound <strong>K5<\/strong> showed higher antiproliferative activity against A549 lung cancer cells, comparable to vorinostat, the drug that is approved for the treatment of these malignancies. The study recommended evaluating the pharmacokinetic properties of the triazole derivatives to overcome the major drawbacks associated with HDACi, such as solubility and bioavailability. <em>In vivo<\/em> studies on animal models might be conducted to validate the antiproliferative activity of the most active compound.<\/span><\/p>\n<p>[\/vc_column_text][\/vc_column][\/vc_row][vc_row][vc_column]<div id=\"cz_49017\" class=\"cz_grid_p cz_49017\"><div class=\"cz_grid cz_grid_1 clr cz_grid_c2 cz_grid_1_no_title cz_grid_1_mid tac cz_tooltip cz_grid_1_no_title\"><div class=\"cz_grid_item cz_grid_first\"><\/div><div class=\"cz_grid_item \"><div data-title=\"p1\"><a class=\"cz_grid_link \" href=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p1.jpg\" data-xtra-lightbox><img loading=\"lazy\" decoding=\"async\" width=\"600\" height=\"600\" src=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p1-600x600.jpg\" class=\"attachment-codevz_600_600\" alt=\"\" title=\"p1\" srcset=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p1-600x600.jpg 600w, https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p1-150x150.jpg 150w\" sizes=\"auto, (max-width: 600px) 100vw, 600px\" \/><div class=\"cz_grid_details\"><i class=\"fa fa-search cz_grid_icon\"><\/i><\/div><\/a><\/div><\/div><div class=\"cz_grid_item \"><div data-title=\"p2\"><a class=\"cz_grid_link \" href=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p2.jpg\" data-xtra-lightbox><img loading=\"lazy\" decoding=\"async\" width=\"600\" height=\"600\" src=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p2-600x600.jpg\" class=\"attachment-codevz_600_600\" alt=\"\" title=\"p2\" srcset=\"https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p2-600x600.jpg 600w, https:\/\/en.copharm.uobaghdad.edu.iq\/wp-content\/uploads\/sites\/80\/2024\/08\/p2-150x150.jpg 150w\" sizes=\"auto, (max-width: 600px) 100vw, 600px\" \/><div class=\"cz_grid_details\"><i class=\"fa fa-search cz_grid_icon\"><\/i><\/div><\/a><\/div><\/div><\/div><\/div>[\/vc_column][\/vc_row]<\/p>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>[vc_row][vc_column][vc_column_text] The College of Pharmacy discussed the MSc thesis entitled \u201cMolecular Modeling, Synthesis, and Preliminary Antiproliferative Activity of 1,2,4-Triazole-Schiff Base &#8230; <a class=\"cz_readmore\" href=\"https:\/\/en.copharm.uobaghdad.edu.iq\/?p=6976\"><i class=\"fa czico-132-arrows-8\" aria-hidden=\"true\"><\/i><span>more<\/span><\/a><\/p>\n","protected":false},"author":9,"featured_media":6977,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_lmt_disableupdate":"","_lmt_disable":"","footnotes":""},"categories":[3,7,5],"tags":[],"class_list":["post-6976","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-latest-news","category-dissuasion","category-last-news"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v25.8 - 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