Practical Fragments

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

22 November 2009

Too many aromatics stink

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A recent discussion centered on whether fragment libraries should be designed to include more “3-dimensional” molecules and reduce the numb...
16 November 2009

NMR vs other methods

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Fragment-based lead discovery owes much of its popularity to NMR: the SAR by NMR papers published by Abbott in the mid 1990s demonstrated b...
12 November 2009

A tale of two deals

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Two deals involving companies in the fragment space were announced today. I don’t have inside information on either of these, but superficia...
06 November 2009

Remembering Warren Delano

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For those of you who haven’t heard, Warren Delano, author of PyMOL , died earlier this week. His sister Jen has established a blog for peop...
28 October 2009

To grow or to link: why not both?

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What can you do with fragments? The idea of linking a couple together, while successfully demonstrated in the first SAR by NMR paper , gene...
3 comments:
22 October 2009

Infarmatik In-3D Library

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In what we hope is a new series bringing the latest in Fragment Science up for discussion, we present today to you a discussion of Infarmati...
3 comments:
15 October 2009

Genentech’s affinity for Graffinity

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Heidelberg-based Graffinity today announced that they would be collaborating with the Genentech division of Roche. Graffinity will apply i...
07 October 2009

Fragment-based events in 2009 and 2010 (and calls for abstracts)

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We’re in the last quarter of 2009, and I know of just one more event this year involving fragments: October 13 : The Life Science Regional T...
4 comments:
04 October 2009

Looks can be deceiving: Getting misled by crystal structures - part 2

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Last year we highlighted a paper that touched on some of the ways crystal structures can mislead, and a theme of FBLD 2009 was how dubious...
27 September 2009

FBLD 2009

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Fragment-based Lead Discovery Conference 2009 just concluded in York, UK; it was the second in what will hopefully be a continuing series....
3 comments:
23 September 2009

Upcoming Fragment Talks

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There is an upcoming conference with an extraordinary FBDD lineup. :-) Don Huddler from GSK will be talking about SPR in fragment screening...
17 September 2009

Who’s doing FBDD?

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Lots of companies are using FBDD, but aside from big pharma it’s not always easy to find them. As a public service we have started a running...
6 comments:
10 September 2009

BioLeap leaps into collaborations

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Pennsylvania-based BioLeap , which uses computational FBDD, has just signed a deal with GlaxoSmithKline to work on “difficult” targets. The...
09 September 2009

Journal of Computer-Aided Molecular Design Special FBDD Issue

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Our friends over at FBDD-Literature have already highlighted this, but it bears repeating that the entire August issue of J. Comp. Aid. Mo...
1 comment:
07 September 2009

Destructible ligands

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Crystallography-based methods of fragment screening often rely on growing many crystals of a protein and soaking these in fragment-containin...
29 August 2009

Avoiding will-o’-the-wisps: aggregation artifacts in activity assays

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The phenomenon of aggregation is the drug hunter’s quicksand. A prerequisite for using biochemical assays to study fragments – or any low-af...
2 comments:
23 August 2009

DCC and FBDD

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Dynamic combinatorial chemistry (DCC) has grown alongside of and often intersected with FBDD. In a recent issue of Angewandte Chemie , Jörg ...
1 comment:
13 August 2009

Fragments of Life shut down LTA4H

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A couple months ago we highlighted research suggesting that natural products are a fruitful field for finding fragments. One company, deCOD...
11 August 2009

Hsp90 and fragments – part 2: NVP-BEP800/VER-82576

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Proving again that Hsp90 is tailor-made for fragment-based approaches , the latest issue of J. Med. Chem. has a thorough article describin...
06 August 2009

Fragment-based conferences in 2009 and 2010

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Hard to believe, but 2009 is more than halfway over. As far as I know there is only one more event this year focused primarily on fragments,...
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