tag:blogger.com,1999:blog-1136153439451224584.post5934256371055032456..comments2024-03-27T06:45:59.174-07:00Comments on Practical Fragments: What is FBDD, and how pure is your library?Dr. Teddy Zhttp://www.blogger.com/profile/07288045760981372367noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-1136153439451224584.post-11638291111985144432012-10-28T01:21:11.825-07:002012-10-28T01:21:11.825-07:00I guess purity required may be dependent on the de...I guess purity required may be dependent on the detection technology? Would X-ray allow the identification of the impurity, if F-NMR unless the impurity contained F it would not be seen etc.Chrishttp://www.cambridgemedchemconsulting.comnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-13611722823035260072012-10-27T16:54:15.450-07:002012-10-27T16:54:15.450-07:00These are good questions, and not surprisingly bot...These are good questions, and not surprisingly both of them came up at <a href="http://practicalfragments.blogspot.com/2012/09/fbld-2012.html" rel="nofollow">FBLD 2012</a>. Indeed, they are somewhat related, since the question “what is FBDD” gets to the issue of the “purity” of the discipline.<br /><br />Regarding what constitutes FBDD, I personally take a rather catholic view: if it borrows concepts from FBDD, it is FBDD. That said, I also like Mark Whittaker’s idea of <a href="http://practicalfragments.blogspot.com/2009/07/is-fbdd-fadd.html" rel="nofollow">FADD</a> (fragment-assisted drug discovery) as a broader category that includes approaches that purists might not consider FBDD.<br /><br />In terms of library purity, it is important to remember that stated purity levels may not be accurate, as they are usually based on NMR or HPLC, which don’t detect everything. Heavy metals can be particularly insidious: we mentioned silver <a href="http://practicalfragments.blogspot.com/2012/04/fragment-linking-leads-to-nanomolar.html" rel="nofollow">here</a>, and at FBLD 2012 Charles Wartchow described a project at Roche in which a fragment screen produced lots of hits, but many of them turned out to be due to contaminating zinc.Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.com