Practical Fragments

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

30 July 2018

Dimerization: elegant but not essential

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A special case of fragment linking is dimerization, in which two copies of the same fragment bind to adjacent sites in a protein and are su...
2 comments:
23 July 2018

Fragments score a win against WDR5-WIN

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Protein-protein interactions (PPIs) can be difficult targets for multiple reasons. First, the contacts often cover large, flattish areas wi...
2 comments:
16 July 2018

Rise of the machines for fragment optimization

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Our latest poll (please vote on the right-hand side of the page!) is about fragment libraries. Once you have your library, you can screen ...
2 comments:
09 July 2018

Practical Fragments turns ten, and celebrates with a poll on the modern fragment library

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Ten years ago today Teddy launched Practical Fragments with a simple question about screening methodologies. More than 660 posts later we...
6 comments:
02 July 2018

Fragment events in 2018 and 2019

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Hard to believe we're already halfway through the year, but there are still some exciting events ahead, and 2019 is already starting to...
25 June 2018

Fragments towards the clinic: ERK1/2

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The first fragment-based drug  to reach the market, vemurafenib , targets a mutant form of the kinase BRAF. Initial responses can be miracu...
18 June 2018

Fifth NovAliX Biophysics in Drug Discovery Conference

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Last week NovAliX  held its biophysics meeting  outside of Strasbourg for the first time. Naturally they chose Boston, one of the most Euro...
11 June 2018

The origins and development of FBDD

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Most of the papers Practical Fragments cover are limited in scope: a new chemical probe , say, or an NMR method. Even in our annual re...
2 comments:
04 June 2018

Fragments in the clinic: ETC-206

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A few weeks ago we highlighted the story of eFT508, a clinical MNK1/2 inhibitor derived from a previously published fragment. One of the c...
28 May 2018

Fragments vs the common cold (via NMT)

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Anyone who has spent much time in drug discovery will have been asked what they've done to cure the common cold. In a paper just publis...
21 May 2018

Fragments vs PKC-ι: 7-azaindole strikes again

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A common question in library design concerns novelty: should you populate your library with custom-made, hitherto unseen molecules, or ju...
14 May 2018

Fragments vs Gram-negative bacterial PPAT

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Of the 30+ fragment-derived drugs that have entered the clinic , only one is an antibiotic. In part this reflects a shift away from this t...
07 May 2018

Fragment growing via virtual synthesis and screening

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Practical Fragments has covered virtual screening for nearly ten years, and the tools continue to improve. More recently , researchers are...
30 April 2018

Fragment linking vs IMPDH (with a little help from the literature)

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Mycobacterium tuberculosis (Mtb) , the cause of its eponymous disease, is making an unwelcome comeback. Current treatments are lengthy, an...
23 April 2018

Fragments in the clinic: eFT508

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Multiple clinical candidates derived from fragments were described at the recent CHI FBDD Meeting. The story behind one of these has just...
8 comments:
16 April 2018

Fragments vs MTH1: a chemical probe

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As mentioned last week, CHI’s FBDD Meeting was chock-full of success stories. Some of these have recently been published, including work ...
2 comments:
09 April 2018

Thirteenth Annual Fragment-based Drug Discovery Meeting

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CHI’s Drug Discovery Chemistry (DDC) meeting was held last week in San Diego. The event continues to grow, and this year hosted some 800 at...
1 comment:
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