{"id":12797,"date":"2024-12-20T14:21:19","date_gmt":"2024-12-20T14:21:19","guid":{"rendered":"https:\/\/jubilantbiosys.com\/new-staging\/?page_id=12797"},"modified":"2026-02-22T19:38:53","modified_gmt":"2026-02-22T19:38:53","slug":"virtual-screening","status":"publish","type":"page","link":"https:\/\/www.jubilantbiosys.com\/new-staging\/services\/virtual-screening\/","title":{"rendered":"Virtual Screening"},"content":{"rendered":"\n<div class=\"wp-block-group solutions-details-info-list\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<div class=\"wp-block-group solutions-details-head is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<h2 class=\"wp-block-heading\">Virtual Screening<\/h2>\n<\/div>\n\n\n\n<p class=\"wp-block-paragraph\">Using virtual screening, we can help restrict the list of compounds to those that are most likely to have the desired therapeutic effect by screening the compounds based on certain characteristics such as bioactivity, solubility, and toxicity; while drastically cutting down the time and expense associated with the drug development process. Get in touch with our experts to find out how we can assist you.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Virtual screening of databases of drug-like compounds or target-class-focused libraries is a strategy to discover novel scaffold(s). Virtual screening is a powerful approach to find novel hits, using either structure-based approaches (protein structure or homology model with known\/identified binding site) or ligand-based approaches (chemical structures of known modulators of the target).<\/p>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-content\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<div class=\"wp-block-group solutions-details-tow-col-list is-nowrap is-layout-flex wp-container-core-group-is-layout-8f761849 wp-block-group-is-layout-flex\">\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<h5 class=\"wp-block-heading\">Structure-based approaches encompasses<\/h5>\n\n\n\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>Screening by docking the database of chemical structures into the known or identified binding site and selecting the hits by analyzing the top hits in terms of docking score, interactions &amp; ligand internal strain.<\/li>\n\n\n\n<li>Constructing a pharmacophore based on key interactions of known modulators with the residues in the binding site and then using it for virtual screening.<\/li>\n<\/ul>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-group solutions-details-tow-col-list-inner\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\">\n<h5 class=\"wp-block-heading\">Ligand-based approaches will include<\/h5>\n\n\n\n<ul class=\"wp-block-list solutions-details-icon-list\">\n<li>Pharmacophore-based screening by constructing pharmacophore models using structures of known inhibitors and then screening the databases using these pharmacophore models.<\/li>\n\n\n\n<li>Using the shape.<\/li>\n\n\n\n<li>Two-dimensional chemical structures of the known potent modulators to screen the databases.<\/li>\n<\/ul>\n<\/div><\/div>\n<\/div>\n\n\n\n<p class=\"wp-block-paragraph\">The databases we routinely use for virtual screening are pre-filtered using various filters like REOS (Rapid Elimination Of Swill), PAINS (Pan-Assay INterfering compoundS), and physico-chemical properties to remove known toxicophores, potential promiscuous ligands, assay-interfering moieties and non-drug like compounds. Virtual screening can be employed to screen against known binding sites, protein-protein interaction sites or known or predicted allosteric sites.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">For virtual screening in case of specific targets like kinases, since the interactions of inhibitors with the hinge is important, those interactions can be constrained during screening, so that all the hits will have appropriate moieties for these interactions. The final selected hits from virtual screening can be procured from commercial vendors and tested in biological assays.<\/p>\n\n\n\n<div class=\"wp-block-group my-5 is-vertical is-layout-flex wp-container-core-group-is-layout-4fc3f8e1 wp-block-group-is-layout-flex\">\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"841\" height=\"489\" src=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2025\/03\/Virtual-Screening-1.jpg\" alt=\"\" class=\"wp-image-14150\" srcset=\"https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2025\/03\/Virtual-Screening-1.jpg 841w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2025\/03\/Virtual-Screening-1-300x174.jpg 300w, https:\/\/www.jubilantbiosys.com\/new-staging\/wp-content\/uploads\/2025\/03\/Virtual-Screening-1-768x447.jpg 768w\" sizes=\"auto, (max-width: 841px) 100vw, 841px\" \/><\/figure>\n<\/div>\n\n\n\n<p class=\"wp-block-paragraph\">Jubilant Biosys provides a wide variety of specialized support for <a href=\"https:\/\/www.jubilantbiosys.com\/new-staging\/integrated-drug-discovery-services\/\"><strong>drug discovery services<\/strong><\/a>. If you are looking for quality solutions incorporated with the best practices in the drug discovery domain, feel free to contact us.<\/p>\n\n\n\n<div class=\"wp-block-group action-row\"><div class=\"wp-block-group__inner-container is-layout-constrained wp-block-group-is-layout-constrained\"><a href='#' class='action-btn' data-bs-toggle='modal' data-bs-target='#GetInTouchModal' data-bs-direction='right'>Get In Touch <i class='fa-solid fa-caret-right'><\/i><\/a><\/div><\/div>\n<\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>Virtual Screening Using virtual screening, we can help restrict the list of compounds to those that are most likely to have the desired therapeutic effect by screening the compounds based on certain characteristics such as bioactivity, solubility, and toxicity; while drastically cutting down the time and expense associated with the drug development process. Get in [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":11027,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-solutions-one.php","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-12797","page","type-page","status-publish","hentry"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.9 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Virtual Screening | Jubilant Biosys<\/title>\n<meta name=\"description\" content=\"Our virtual screening services include powerful computational approaches to find novel hits, providing targeted and cost-effective screening solutions.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.jubilantbiosys.com\/services\/virtual-screening\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" 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