Practical Fragments

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments.

29 June 2009

Fragments of the future - part 3 (977 million and counting)

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A few weeks ago we gave a passing nod to work by Jean-Louis Reymond, who with colleagues enumerated all possible compounds with up to 11 C...
3 comments:
27 June 2009

Fragments vs RNA

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One of the promises of fragment-based methods is that they can tackle “hard” targets such as protein-protein interactions and nucleic acids....
21 June 2009

Fragments in cells

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A couple months ago I considered writing an April Fools’ post on screening fragments in vivo. A recent paper in J. Med. Chem. reports som...
1 comment:
14 June 2009

Fragments of the future - part 2 (The intersection of chemical and biological space)

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In a previous post about heterocycles that appear chemically feasible but have not been reported, we wondered whether these molecules would...
11 June 2009

Hidden Talent Pool

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I have a question for the followes/readers here. Is there a hidden talent pool of recent Ph.Ds who have training in FBDD and can immediatel...
2 comments:
02 June 2009

Fragments of the future

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We recently provided a list of suppliers of commercial fragment libraries . A problem with buying compounds from these sources, of course, i...
1 comment:
29 May 2009

Size Doesn't Matter...Complexity Does...or does it?

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With 16 days left to vote (Use you franchise!!!) 17 of 20 respondents have said that FBDD is integrated in the hit finding stage at their co...
22 May 2009

Commercial fragments – part 2

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Teddy recently observed that it’s not the size of your library that matters, but how you use it. But how do you get a fragment library in t...
3 comments:
13 May 2009

It's Not How Big it Is, It's How You Use It.

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Boys will be boys, won't they. There is some gene buried on the Y chromosome that makes them think if something works as is, the bigger...
12 May 2009

Fragment linking: too strained, too flexible, or too positive?

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One of the most rewarding fragment-based outcomes is to link two fragments together and get a pop in activity, as predicted by William Jen...
03 May 2009

More on DOCKing fragments and sampling chemical space

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A few weeks ago, we highlighted a paper from Brian Shoichet’s group at UCSF demonstrating that computational screening could successfully ...
18 April 2009

Updated Again: Fragment Events in 2009

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It seems the fragment calendar was front-loaded this year, but there are still a few upcoming events. June 8-9 : GTCbio is holding its “ Fou...
10 April 2009

LELP fragments reach their potential

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In last month’s issue of Nature Reviews Drug Discovery , György Keserü of Gedeon Richter and Gergely Makara of Merck published a thought-pro...
07 April 2009

Book Review on FBDD Book

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There is a review just publish ASAP in JACS of the Zartler and Shapiro edited book on FBDD . Overall, it is a nice review (Thanks to Andrew ...
02 April 2009

Nuclear Magnetic Crystallography part II

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In what can only be seens as a cosmic convergence, a second paper has appeared on NMR-X-ray hybridization . This one is a collaboration fro...
01 April 2009

Nuclear Magnetic Crystallography

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There is often a competition, explicit or implied, between NMR spectrometrists and X-ray crystallographers. A new technique merges the best...
1 comment:
29 March 2009

Fragments and kinases at Abbott

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Of the fragment-derived drugs that have entered the clinic , roughly half target protein kinases. Phil Hajduk (of SAR-by-NMR fame) and Irin...
22 March 2009

Fragments in silico, confirmed by X-ray

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I’ve always been something of an empiricist, and have therefore been wary of computational fragment screening. It’s not that I think it’s im...
15 March 2009

Fragments on Glass

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I’m always a fan of new fragment technologies, and Hioryuki Osada and colleagues at RIKEN have just published a very intriguing one which th...
2 comments:
08 March 2009

Fragments 2009

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Just a few quick thoughts on RSC BMCS Fragments 2009 , which I had the pleasure of attending at AstraZeneca’s beautiful new conference cente...
2 comments:
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