{"id":10575,"date":"2024-04-20T23:24:55","date_gmt":"2024-04-20T17:24:55","guid":{"rendered":"https:\/\/web.cu.ac.bd\/v2\/?p=10575"},"modified":"2024-04-20T23:29:13","modified_gmt":"2024-04-20T17:29:13","slug":"synthesis-of-new-derivatives-of-benzylidinemalononitrile-and-ethyl-2-cyano-3-phenylacrylate-in-silico-anticancer-evaluation","status":"publish","type":"post","link":"https:\/\/web.cu.ac.bd\/v2\/synthesis-of-new-derivatives-of-benzylidinemalononitrile-and-ethyl-2-cyano-3-phenylacrylate-in-silico-anticancer-evaluation\/","title":{"rendered":"Synthesis of New Derivatives of Benzylidinemalononitrile and Ethyl 2 Cyano-3-phenylacrylate: In Silico Anticancer Evaluation"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"10575\" class=\"elementor elementor-10575\">\n\t\t\t\t\t\t<section class=\"has_eae_slider elementor-section elementor-top-section elementor-element elementor-element-23059ec elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-eae-slider=\"8536\" data-id=\"23059ec\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"has_eae_slider elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-d7b423f\" data-eae-slider=\"53160\" data-id=\"d7b423f\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-345cf72 elementor-widget elementor-widget-heading\" data-id=\"345cf72\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Synthesis of New Derivatives of Benzylidinemalononitrile and Ethyl 2 Cyano-3-phenylacrylate: In Silico Anticancer Evaluation<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"has_eae_slider elementor-section elementor-top-section elementor-element elementor-element-7b70326 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-eae-slider=\"91611\" data-id=\"7b70326\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"has_eae_slider elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-7eb6d60\" data-eae-slider=\"62761\" data-id=\"7eb6d60\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-2d6f3b8 elementor-widget elementor-widget-text-editor\" data-id=\"2d6f3b8\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p><img fetchpriority=\"high\" decoding=\"async\" class=\"size-full wp-image-10576 aligncenter\" src=\"https:\/\/web.cu.ac.bd\/v2\/wp-content\/uploads\/2024\/04\/image6-3.png\" alt=\"\" width=\"500\" height=\"301\" srcset=\"https:\/\/web.cu.ac.bd\/v2\/wp-content\/uploads\/2024\/04\/image6-3.png 500w, https:\/\/web.cu.ac.bd\/v2\/wp-content\/uploads\/2024\/04\/image6-3-300x181.png 300w\" sizes=\"(max-width: 500px) 100vw, 500px\" \/><br \/>A computational study was performed by a research group from the Department of Chemistry on these compounds against three cancer-related proteins and one parasite target to determine their potential as anticancer and antiparasitic medicines. Various computational methods were utilized, including DFT calculations, molecular docking calculations, binding energy calculations, thermodynamic properties analysis, HOMO and LUMO investigation, drug-likeness analyses, ADMET property evaluation, and MD simulations. Compound 3 showed the highest binding affinity as an anticancer target, which suggests that it could be an effective therapeutic molecule. In comparison to the reference drugs, compound 3 also displayed strong effects on HER2 and FPPS cell lines, and all of the compounds satisfied numerous drug-likeness requirements.<\/p><p>Read the whole article: <strong><span style=\"color: #008000;\"><a style=\"color: #008000;\" href=\"https:\/\/doi.org\/10.1021\/acsomega.3c01123\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1021\/acsomega.3c01123<\/a><\/span><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>A computational study was performed by a research group from the Department of Chemistry on these compounds against three cancer-related proteins and one parasite target to determine their potential as anticancer and antiparasitic medicines.<\/p>\n","protected":false},"author":786001,"featured_media":10576,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"elementor_header_footer","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","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":"set","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 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href=\"https:\/\/web.cu.ac.bd\/v2\/category\/research-highlights\/\" rel=\"category tag\">Research Highlights<\/a>","rttpg_excerpt":"A computational study was performed by a research group from the Department of Chemistry on these compounds against three cancer-related proteins and one parasite target to determine their potential as anticancer and antiparasitic medicines.","_links":{"self":[{"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/posts\/10575","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/users\/786001"}],"replies":[{"embeddable":true,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/comments?post=10575"}],"version-history":[{"count":0,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/posts\/10575\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/media\/10576"}],"wp:attachment":[{"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/media?parent=10575"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/categories?post=10575"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/web.cu.ac.bd\/v2\/wp-json\/wp\/v2\/tags?post=10575"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}