{"id":3400,"date":"2024-03-15T11:51:59","date_gmt":"2024-03-15T18:51:59","guid":{"rendered":"https:\/\/molecularf.wpenginepowered.com\/cas-pratiques\/molecular-forecaster\/"},"modified":"2026-09-18T17:56:42","modified_gmt":"2026-09-19T00:56:42","slug":"molecular-forecaster","status":"publish","type":"page","link":"https:\/\/molecularforecaster.com\/fr\/cas-pratiques\/molecular-forecaster\/","title":{"rendered":"Molecular Forecaster"},"content":{"rendered":"\n<div class=\"et_pb_section_0 et_pb_section et_section_regular et_block_section\"><div class=\"et_pb_row_0 et_pb_row et_block_row\"><div class=\"et_pb_column_0 et_pb_column et_pb_column_4_4 et-last-child et_block_column et_pb_css_mix_blend_mode_passthrough\"><div class=\"et_pb_text_0 et_pb_text et_pb_bg_layout_light et_pb_module et_block_module\"><div class=\"et_pb_text_inner\"><p>L'impact d'IMPACTS<\/p>\n<\/div><\/div><div class=\"et_pb_module et_pb_button_module_wrapper et_pb_button_0_wrapper\"><a class=\"et_pb_button_0 et_pb_button et_pb_bg_layout_light et_pb_module et_block_module\" href=\"https:\/\/molecularforecaster.com\/?page_id=3999&#038;preview=true\" data-icon=\"&lt;\">Retour aux \u00e9tudes de cas<\/a><\/div><\/div><\/div><\/div><div class=\"et_pb_section_1 et_pb_section et_section_regular et_block_section\"><div class=\"et_pb_row_1 et_pb_row et_block_row\"><div class=\"et_pb_column_1 et_pb_column et_pb_column_4_4 et-last-child et_block_column et_pb_css_mix_blend_mode_passthrough\"><div class=\"et_pb_text_1 et_pb_text et_pb_bg_layout_light et_pb_module et_block_module\"><div class=\"et_pb_text_inner\"><h1><strong><span data-contrast=\"none\" xml:lang=\"EN-IN\" lang=\"EN-IN\" class=\"TextRun SCXW148039843 BCX8\"><span class=\"NormalTextRun SCXW148039843 BCX8\">A <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">b<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">journal <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">s<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">eries sur les <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">r<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">etrospective <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">c<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">ase <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">s<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">tudes en <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">m<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">etabolique <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">s<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">tabilit\u00e9 <\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">p<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\">pr\u00e9diction<\/span><span class=\"NormalTextRun SCXW148039843 BCX8\"> et \u00e9tudes d'optimisation<\/span><\/span><span class=\"EOP SCXW148039843 BCX8\" data-ccp-props=\"{\"201341983\":0,\"335551550\":2,\"335551620\":2,\"335559739\":160,\"335559740\":259}\"> <\/span><\/strong><\/h1>\n<p><strong><span class=\"EOP SCXW148039843 BCX8\" data-ccp-props=\"{\"201341983\":0,\"335551550\":2,\"335551620\":2,\"335559739\":160,\"335559740\":259}\"><\/span><\/strong><\/p>\n<p><span class=\"EOP SCXW148039843 BCX8\" data-ccp-props=\"{\"201341983\":0,\"335551550\":2,\"335551620\":2,\"335559739\":160,\"335559740\":259}\"><span data-contrast=\"none\" xml:lang=\"EN-IN\" lang=\"EN-IN\" class=\"TextRun SCXW255572437 BCX8\"><span class=\"NormalTextRun SCXW255572437 BCX8\">La stabilit\u00e9 m\u00e9tabolique est un facteur crucial dans le d\u00e9veloppement des m\u00e9dicaments, car elle influence directement l'efficacit\u00e9 et la fiabilit\u00e9 d'un candidat pharmaceutique. <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">L'instabilit\u00e9 m\u00e9tabolique des m\u00e9dicaments peut entra\u00eener une d\u00e9gradation rapide, conduisant \u00e0 de taux th\u00e9rapeutiques faibles et\/ou \u00e0 la formation de m\u00e9tabolites nocifs. <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">Un nombre important de candidats <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">ont<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\"> <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">\u00e9chou\u00e9<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\"> ou <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">ont eu<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">leur d\u00e9veloppement interrompu en raison de probl\u00e8mes de <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">stabilit\u00e9 m\u00e9tabolique <\/span><span class=\"NormalTextRun ContextualSpellingAndGrammarErrorV2Themed SCXW255572437 BCX8\">probl\u00e8mes<\/span><span class=\"NormalTextRun ContextualSpellingAndGrammarErrorV2Themed SCXW255572437 BCX8\">;<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\"> <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">tandis que certains <\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">m\u00e9dicaments ont \u00e9t\u00e9<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\"> retir\u00e9s du march\u00e9<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\">.<\/span><span class=\"NormalTextRun SCXW255572437 BCX8\"> <\/span><\/span><span class=\"EOP SCXW255572437 BCX8\" data-ccp-props=\"{\"201341983\":0,\"335551550\":6,\"335551620\":6,\"335559739\":160,\"335559740\":259}\"> <\/span><\/span><\/p>\n<\/div><\/div><div class=\"et_pb_text_2 et_pb_text et_pb_bg_layout_light et_pb_module et_block_module\"><div class=\"et_pb_text_inner\"><p><b>Le saviez-vous ?<\/b><\/p>\n<ul>\n<li style=\"list-style-type: none;\">\n<ul>\n<li data-leveltext=\"\uf0a7\" data-font=\"Wingdings\" data-listid=\"2\" data-list-defn-props=\"{\"335552541\":1,\"335559685\":720,\"335559991\":360,\"469769226\":\"Wingdings\",\"469769242\":[9642],\"469777803\":\"left\",\"469777804\":\"\uf0a7\",\"469777815\":\"hybridMultilevel\"}\" aria-setsize=\"-1\" data-aria-posinset=\"1\" data-aria-level=\"1\">Les <b>sites<\/b> <strong>de<\/strong> <b>m\u00e9tabolisme <\/b>(SOM) ou \"points chauds\" d\u00e9signent les endroits d'une structure mol\u00e9culaire o\u00f9 les enzymes m\u00e9taboliques agissent pour modifier le compos\u00e9.<\/li>\n<li data-leveltext=\"\uf0a7\" data-font=\"Wingdings\" data-listid=\"2\" data-list-defn-props=\"{\"335552541\":1,\"335559685\":720,\"335559991\":360,\"469769226\":\"Wingdings\",\"469769242\":[9642],\"469777803\":\"left\",\"469777804\":\"\uf0a7\",\"469777815\":\"hybridMultilevel\"}\" aria-setsize=\"-1\" data-aria-posinset=\"2\" data-aria-level=\"1\">Il est essentiel d'identifier et de traiter les \"points chauds\" du m\u00e9tabolisme.<\/li>\n<li data-leveltext=\"\uf0a7\" data-font=\"Wingdings\" data-listid=\"2\" data-list-defn-props=\"{\"335552541\":1,\"335559685\":720,\"335559991\":360,\"469769226\":\"Wingdings\",\"469769242\":[9642],\"469777803\":\"left\",\"469777804\":\"\uf0a7\",\"469777815\":\"hybridMultilevel\"}\" aria-setsize=\"-1\" data-aria-posinset=\"3\" data-aria-level=\"1\">Ces \"points chauds\" sont des zones du compos\u00e9 qui sont les plus susceptibles d'\u00eatre d\u00e9grad\u00e9es par les enzymes de l'organisme, principalement dans le foie.<\/li>\n<li data-leveltext=\"\uf0a7\" data-font=\"Wingdings\" data-listid=\"2\" data-list-defn-props=\"{\"335552541\":1,\"335559685\":720,\"335559991\":360,\"469769226\":\"Wingdings\",\"469769242\":[9642],\"469777803\":\"left\",\"469777804\":\"\uf0a7\",\"469777815\":\"hybridMultilevel\"}\" aria-setsize=\"-1\" data-aria-posinset=\"4\" data-aria-level=\"1\">Les enzymes du cytochrome P450 (CYP) du foie sont responsables de la d\u00e9composition de nombreux m\u00e9dicaments, ce qui en fait des cibles privil\u00e9gi\u00e9es pour les enqu\u00eates.<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<\/div><\/div><div class=\"et_pb_text_3 et_pb_text et_pb_bg_layout_light et_pb_module et_block_module\"><div class=\"et_pb_text_inner\"><p><span data-contrast=\"none\">Notre logiciel propri\u00e9taire, <\/span><strong>IMPACTS<\/strong><span data-contrast=\"none\">est un outil facile d'utilisation pour l'identification des sites du m\u00e9tabolisme (SoM) des x\u00e9nobiotiques. <\/span><span data-contrast=\"none\">Impacts<\/span><span data-contrast=\"none\"> combine le docking aux enzymes du cytochrome P450 (CYP), la mod\u00e9lisation des \u00e9tats de transition et la pr\u00e9diction de la r\u00e9activit\u00e9 des substrats bas\u00e9e sur des r\u00e8gles.<\/span><span data-ccp-props=\"{\"201341983\":0,\"335551550\":6,\"335551620\":6,\"335559739\":160,\"335559740\":259}\"> <\/span><\/p>\n<p><strong>IMPACTS<\/strong><span data-contrast=\"none\"> a \u00e9t\u00e9 test\u00e9 sur plus de 700 mol\u00e9cules pour sept isoformes CYP diff\u00e9rentes (1A2, 2A6, 2B6, 2C8, 2C9, 2D6, 3A4), avec des pr\u00e9cisions allant de 74 % (CYP2A6 et CYP2B6) \u00e0 82 % (CYP1A2) lorsque les deux meilleur SoM sont pris en compte[<\/span><span data-contrast=\"none\">1].<\/span><span data-contrast=\"none\"> Des tests sur les isoformes CYP2C19 et CYP2E1 sont actuellement en cours, ce qui permettra de tester<\/span><strong>IMPACTS<\/strong><span data-contrast=\"none\"> sur plus de 97 % des isoformes CYP impliqu\u00e9s dans le m\u00e9tabolisme des x\u00e9nobiotiques.<\/span><span data-ccp-props=\"{\"201341983\":0,\"335551550\":6,\"335551620\":6,\"335559739\":160,\"335559740\":259}\"> <\/span><\/p>\n<p><span data-contrast=\"none\">L'objectif de cette s\u00e9rie de blogs est de fournir des \u00e9tudes de cas r\u00e9trospectives sur la stabilit\u00e9 m\u00e9tabolique, en se concentrant sur la fa\u00e7on dont <\/span><strong>IMPACTS<\/strong><span data-contrast=\"none\"> peut \u00eatre utilis\u00e9 pour identifier et interpr\u00e9ter les SoM pour un compos\u00e9 donn\u00e9. Ces pr\u00e9dictions peuvent guider les chimistes m\u00e9dicinaux dans la conception de mol\u00e9cules plus stables.<\/span><span data-ccp-props=\"{\"201341983\":0,\"335551550\":6,\"335551620\":6,\"335559739\":160,\"335559740\":259}\"> <\/span><\/p>\n<p><span data-contrast=\"none\">Ces \u00e9tudes de cas sont tir\u00e9es de la litt\u00e9rature scientifique, y compris des \u00e9tudes d'optimisation et d'identification des compos\u00e9s candidats, en mettant l'accent sur la stabilit\u00e9 m\u00e9tabolique. Nous montrerons comment <\/span><span data-contrast=\"none\">Impacts<\/span><span data-contrast=\"none\"> identifie les \"hot spots\" et la mani\u00e8re dont les pr\u00e9visions s'alignent avec les donn\u00e9es exp\u00e9rimentales.<\/span><span data-ccp-props=\"{\"201341983\":0,\"335551550\":6,\"335551620\":6,\"335559739\":160,\"335559740\":259}\"> <\/span><\/p>\n<\/div><\/div><div class=\"et_pb_tabs_0 et_pb_tabs et_pb_module\"><ul class=\"et_pb_tabs_controls clearfix\"><li class=\"et_pb_tab_nav_item_0 et_pb_tab_nav_item et_pb_tab_0 et_pb_tab_active\"><a class=\"et_pb_tab_nav_item_link\" href=\"#\">Conduire \u00e0 la conception du candidat<\/a><\/li><\/ul><div class=\"et_pb_all_tabs\"><div class=\"et_pb_tab_0 et_pb_tab clearfix et_pb_active_content et_pb_module et_block_module\"><div class=\"et_pb_tab_content\"><p style=\"text-align: left;\"><strong><\/strong><\/p>\n<p style=\"text-align: left;\"><strong>\u21d2 PH-797804<img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/molecularforecaster.com\/wp-content\/uploads\/2024\/03\/Impact_of_IMPACTS6_big-300x258.png\" width=\"300\" height=\"258\" alt=\"\" class=\"wp-image-3476 alignnone size-medium\" style=\"float: right;\"><\/strong><\/p>\n<p style=\"text-align: left;\"><strong><span class=\"NormalTextRun SCXW215969469 BCX8\">\u21d2 Phase II clinique <\/span><span class=\"NormalTextRun SCXW215969469 BCX8\">compos\u00e9<\/span><\/strong><\/p>\n<p style=\"text-align: left;\"><strong>\u21d2 Inhibiteur de kinase<\/strong><\/p>\n<p style=\"text-align: left;\"><strong>\u21d2 Optimisation de la stabilit\u00e9 m\u00e9tabolique<\/strong><\/p>\n<p style=\"text-align: left;\"><strong><\/strong><\/p>\n<p style=\"text-align: left;\"><strong><\/strong><\/p>\n<p style=\"text-align: left;\"><strong><\/strong><\/p>\n<p style=\"text-align: left;\">En savoir plus sur ce cas pratique : <strong><a href=\"https:\/\/molecularforecaster.com\/fr\/cas-pratiques\/molecular-forecaster\/de-lead-a-la-conception-dun-candidat\/\">De lead \u00e0 la conception du candidat<\/a><\/strong><\/p>\n<\/div><\/div><\/div><\/div><\/div><\/div><\/div><div class=\"et_pb_section_2 et_pb_section et_section_regular et_block_section\"><\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":4,"featured_media":3483,"parent":1808,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-3400","page","type-page","status-publish","has-post-thumbnail","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.7 - 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