|CCL 23.11.14 Using computational methods to design and prioritize molecules within drug design, Online|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Tue Oct 17 12:04:15 2023
Subject: 23.11.14 Using computational methods to design and prioritize molecules within drug design, Online
Register here - https://www.cresset-group.com/about/events/using-computational-methods/ Join our upcoming webinar to find out more about our specifically tailored software offering, available to academics. Throughout this webinar we will explore how to use computational methods to design and prioritize novel small molecules in Sparkâ¢, our bioisosteric replacement platform, and Flareâ¢, the comprehensive platform for ligand and structure-based drug design. Tankyrase-1 (TNKS-1) is a poly(ADP-ribose) polymerase enzyme involved in many physiological processes ranging from telomere maintenance, Wnt signalling, mitosis and insulin-mediated glucose uptake. Encouragingly, TNKS-1 is a druggable modulator of Wnt/Î²-catenin signalling, a critical signalling cascade implicated in cancer stem cell renewal, which accordingly has placed TNKS-1 at the epicentre of ligand and structure-based small molecule anti-cancer drug design. Despite being a well characterized drug target, the search for small molecule inhibitors of TNKS-1 becomes exceedingly difficult without efficient computational means to explore chemical space for new drug-like molecules and bioisosteres, in addition to accurately discriminating between target binders and non-binders. Thankfully, Sparkâ¢, Cressetâs bioisosteric replacement platform, and Flareâ¢, Cressetâs comprehensive platform for ligand and structure-based molecule design can be deployed in a combined computational drug discovery workflow to rapidly discover new molecules capable of binding within the active site of TNKS-1. Register here - https://www.cresset-group.com/about/events/using-computational-methods/NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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