tag:blogger.com,1999:blog-1136153439451224584.post8689300618085968603..comments2024-03-27T06:45:59.174-07:00Comments on Practical Fragments: Fragment Design Done RightDr. Teddy Zhttp://www.blogger.com/profile/07288045760981372367noreply@blogger.comBlogger3125tag:blogger.com,1999:blog-1136153439451224584.post-77962740023779424642013-08-21T21:42:00.865-07:002013-08-21T21:42:00.865-07:00I too enjoyed this paper; Francisco Talamas gave a...I too enjoyed this paper; Francisco Talamas gave a nice presentation about it at the ACS meeting in Philadelphia last year:<br /><br />http://practicalfragments.blogspot.com/2012/08/acs-fall-meeting-2012.html<br /><br />The marriage of medicinal and computational chemistry can be a beautiful thing when it works!Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-8223962552613304652013-08-21T09:52:33.215-07:002013-08-21T09:52:33.215-07:00Anon:
Um, really? Did we read the same paper?
T...Anon:<br /><br />Um, really? Did we read the same paper?<br /><br />The authors specifically state that the NH donor to Q446 is novel in the context of this protein and this binding site. They certainly do not claim this is the first NH donor to a main chain carbonyl. And it's mentioned in all of a single sentence, so hardly "a bit overplayed".<br /><br /><br />It's a really nice paper. But thanks for bashing for no reason.Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-89407154387598319692013-08-21T07:27:59.542-07:002013-08-21T07:27:59.542-07:00The one important discovery from the co-crystal of...<i>The one important discovery from the co-crystal of 1 was an unexpected, and they believe, first ever interaction of its type: the NH hydrogen interacting with Q446 (Figure 1).</i><br /><br />The are lots of examples of NH of compounds interacting with main chain carbonyls. This may be novel for HCV NS5B, but not in general. It's a bit overplayed in my opinion.Anonymousnoreply@blogger.com