tag:blogger.com,1999:blog-1136153439451224584.post3335824468138506794..comments2024-03-18T02:52:17.621-07:00Comments on Practical Fragments: 19F NMR...Just Like 1H NMRDr. Teddy Zhttp://www.blogger.com/profile/07288045760981372367noreply@blogger.comBlogger4125tag:blogger.com,1999:blog-1136153439451224584.post-86928673730497234282017-10-25T16:31:37.797-07:002017-10-25T16:31:37.797-07:00The 19F chemical shift changes in Figure 4 were 8....The 19F chemical shift changes in Figure 4 were 8.3Hz (0.018ppm at 500MHz NMR spectrometer) and 6.9 Hz (0.015ppm). (really small numbers to me. is this often the case in 19F NMR? and is this practical? )<br /><br />Using equation-4 I got a Kd of 400uM for compound 1, while the authors calculation gave a Kd of 350uM in Table 2. <br /><br />Any mistake in my calculation? Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-22704955400223813912016-09-01T02:11:47.426-07:002016-09-01T02:11:47.426-07:00Has anyone else actually validated the dCSP method...<br />Has anyone else actually validated the dCSP method in this paper? I can't get my head round how they have linearised the relationship between CSP (or dCSP) with ligand concentration? <br /><br />mostafanoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-11935077992826533452012-01-17T13:47:41.743-08:002012-01-17T13:47:41.743-08:00I've always liked this approach, with evidence...I've always liked this approach, with evidence of its utility dating back to the 1970s (see Bird et al, JACS vol 100 p7478, 1978). Importantly, it expands the range of binding affinites for small molecules in ligand-observe mode, compared to other proton-based methods. <br /><br />I suppose one reason this approach is not more common is instrumentation. Traditionally, most systems are configured with either HCN or H-X probes, with an X-nucleus amplifier which doesn't go to 19F. And those of us with cryoprobes are loath to swap them out frequently. <br /><br />As far as the library goes - I think if researchers scoured their pre-existing fragment libraries, they might find they already have enough fluorinated compounds to do a fragment screen.Darren Begleyhttps://www.blogger.com/profile/08353170982254950962noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-35862866451717564862012-01-04T16:30:35.407-08:002012-01-04T16:30:35.407-08:00This is an interesting approach, and I’ve always w...This is an interesting approach, and I’ve always wondered why it hasn’t been used (or at least reported) more often. I know at least one vendor of <a href="http://practicalfragments.blogspot.com/2010/01/commercial-fragments-2010-edition.html" rel="nofollow">commercial fragments</a> offers fluorine-containing fragments specifically.Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.com