tag:blogger.com,1999:blog-1136153439451224584.post2797083965837765006..comments2024-03-27T06:45:59.174-07:00Comments on Practical Fragments: Is that a Forest over there? The place with all the trees...Dr. Teddy Zhttp://www.blogger.com/profile/07288045760981372367noreply@blogger.comBlogger8125tag:blogger.com,1999:blog-1136153439451224584.post-24098084447465438142014-06-04T14:28:53.352-07:002014-06-04T14:28:53.352-07:00We have not found it easy to obtain a wide array o...We have not found it easy to obtain a wide array of small, polar, aliphatic fragments from the usual commercial vendors.Darren W Begleyhttp://www.be4.comnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-69681421418028016462014-06-04T14:18:02.253-07:002014-06-04T14:18:02.253-07:00Fosfomycin and fosmidomycin: polar compounds which...Fosfomycin and fosmidomycin: polar compounds which are both fragments and antibiotic drug molecules. I think if anyone is going to pursue antimicrobials by fragments, having some small, polar, aliphatic material is key. How easy it is to make/obtain these materials, hard to sayDarren W Begleyhttp://www.be4.comnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-5652794764700703392014-06-04T03:52:07.434-07:002014-06-04T03:52:07.434-07:00I wonder what proportion of the pharmacophores in ...I wonder what proportion of the pharmacophores in the overlapping region are artefacts? <br /><br />The authors do apply filters to remove unwanted chemotypes, but I don't think that anyone really has a handle on structures that may appear bio-active but actually cause aggregation, are fluorescent artefacts etc.Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-42645080986470686312014-06-04T02:44:07.975-07:002014-06-04T02:44:07.975-07:00I wonder if part of the reason is that ChEMBL does...I wonder if part of the reason is that ChEMBL does not capture the results from many of the assay types used to identify fragment hits (e.g. thermal shift etc). Chrishttps://www.blogger.com/profile/11553312663186781938noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-50172078445918518062014-06-03T13:01:22.563-07:002014-06-03T13:01:22.563-07:00But Dan, if polar fragment were easy to get/make w...But Dan, if polar fragment were easy to get/make wouldn't they already be commercially available? I would like cows to excrete beer, doesn't mean it is any more likely to happen.Dr. Teddy Zhttps://www.blogger.com/profile/07288045760981372367noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-85150744801862851512014-06-03T06:57:42.892-07:002014-06-03T06:57:42.892-07:00I like the fact that they emphasize the need for m...I like the fact that they emphasize the need for more polar fragments; with all the talk about three-dimensional fragments, it is sometimes easy to forget that <a href="http://practicalfragments.blogspot.com/2013/03/purifying-hydrophilic-fragments.html" rel="nofollow">hydrophilic</a> ones are also often under-represented.Dan Erlansonhttps://www.blogger.com/profile/07927082337051189270noreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-81155030716974707482014-06-02T13:10:57.488-07:002014-06-02T13:10:57.488-07:00Is this from the 3D consortium another group?Is this from the 3D consortium another group?Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1136153439451224584.post-82059307445075695102014-06-02T06:58:11.164-07:002014-06-02T06:58:11.164-07:00link to paper incorrectlink to paper incorrectAnonymousnoreply@blogger.com