Dans la nature, rien n\u2019existe de fa\u00e7on isol\u00e9e, de la plus petite mol\u00e9cule aux plus gros arbres ou animaux. Tout est en interaction. Rafa\u00ebl Najmanovich, Ph. D., de l\u2019Universit\u00e9 de Montr\u00e9al, se pr\u00e9occupe des plus petites mol\u00e9cules, particuli\u00e8rement des interactions entre les petites mol\u00e9cules et les prot\u00e9ines qui gouvernent l\u2019essentiel du m\u00e9tabolisme et de la signalisation cellulaire. Il veut comprendre la \u00ab reconnaissance mol\u00e9culaire \u00bb qui se produit entre ces petites mol\u00e9cules et les prot\u00e9ines, afin de mieux saisir les processus biologiques visant \u00e0 mettre au point de nouveaux m\u00e9dicaments.<\/p>\n
Les ligands (g\u00e9n\u00e9ralement, de petites mol\u00e9cules) se lient aux prot\u00e9ines, dans des cavit\u00e9s \u00e0 leur surface. La pr\u00e9diction de ces interactions se fait au moyen de simulations d\u2019arrimage. De nos jours, les m\u00e9thodes d\u2019arrimage sont largement utilis\u00e9es et accept\u00e9es, mais n\u2019ont pas encore atteint le niveau de r\u00e9alisme, de rapidit\u00e9 et de pr\u00e9cision requis pour r\u00e9aliser leur plein potentiel en vue de concevoir des m\u00e9dicaments. Le laboratoire de M. Najmanovich a d\u00e9j\u00e0 mis au point FlexAID (pour Flexible Artificial Intelligence Docking), une technique d\u2019arrimage flexible fond\u00e9e sur l\u2019intelligence artificielle qui surpasse les m\u00e9thodes d\u2019arrimage largement utilis\u00e9es. Il met actuellement au point un logiciel d\u2019arrimage de nouvelle g\u00e9n\u00e9ration qui augmentera la pr\u00e9cision biologique, gr\u00e2ce \u00e0 laquelle les chercheurs pourront mod\u00e9liser des processus d\u2019arrimage, acc\u00e9l\u00e9rer les simulations pour le classement des petites mol\u00e9cules et se concentrer sur des familles de prot\u00e9ines particuli\u00e8res qui sont importantes pour la conception de m\u00e9dicaments.<\/p>\n
Les m\u00e9thodes d\u2019arrimage en cours de cr\u00e9ation seront \u00e0 la base d\u2019un logiciel ouvert qui permettra de comprendre, sur le plan structural, la d\u00e9couverte de m\u00e9dicaments, et d\u2019am\u00e9liorer la compr\u00e9hension de la reconnaissance mol\u00e9culaire. Ce projet contribuera aussi \u00e0 faire progresser la recherche pharmaceutique de fa\u00e7on \u00e0 ce que les Canadiens en tirent des bienfaits sociaux et \u00e9conomiques.<\/p>\n","protected":false},"excerpt":{"rendered":"
Dans la nature, rien n\u2019existe de fa\u00e7on isol\u00e9e, de la plus petite mol\u00e9cule aux plus gros arbres ou animaux. Tout est en interaction. Rafa\u00ebl Najmanovich, Ph. D., de l\u2019Universit\u00e9 de Montr\u00e9al, se pr\u00e9occupe des plus petites mol\u00e9cules, particuli\u00e8rement des interactions entre les petites mol\u00e9cules et les prot\u00e9ines qui gouvernent l\u2019essentiel du m\u00e9tabolisme et de la […]<\/p>\n","protected":false},"featured_media":0,"template":"","meta":{"_acf_changed":false,"site-sidebar-layout":"default","site-content-layout":"default","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}}},"project-categories":[94],"genome-competitions":[216],"project-sector":[],"genome_centres":[104],"class_list":["post-10948","project","type-project","status-publish","hentry","project-categories-leading-edge-technologies-fr","genome-competitions-concours-2017-en-bio-informatique-et-en-genematique","genome_centres-genome-quebec-fr"],"acf":[],"yoast_head":"\n