Practical Fragments

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

25 November 2014

Docking covalent fragments

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Most drugs interact non-covalently with their target. The conventional wisdom was that covalent drugs – especially irreversible ones – wo...
17 November 2014

Deconstruction, superadditivity, and selectivity

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One of the more exciting phenomena in fragment-based approaches is synergy (or superadditivity), in which the binding energy of linked fra...
12 November 2014

Pleasant Surprise

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Epigenetics is big .  Wicked big.  How big?  This big .  Papers come from everywhere.  In this paper , an academic group from Minnesota, go...
2 comments:
10 November 2014

Plenty of room at the bottom (of chemical space)

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One of the key selling points of fragment-based lead discovery is that small fragments can search chemical space much more efficiently than...
2 comments:
05 November 2014

Still Impractical, but Getting Better...

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Dan and I don't see every fragment paper and so it's nice when people point out papers to us.  Its typically their recently publish...
7 comments:
03 November 2014

Fragments as enzyme activators

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About half of all approved drugs are small molecules that inhibit enzymes. This makes sense intuitively: an enzyme is like a complicated li...
1 comment:
30 October 2014

That's Just WAC

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We are all about new methods here.  One method I have never been a big fan of is Weak Affinity Chromatography, which has been reviewed here...
4 comments:
27 October 2014

Fragments vs Bcl-XL – selectively

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One of the more popular applications of fragment-based lead discovery has been targeting protein-protein interactions . Among these, the BC...
21 October 2014

Benchmark Your Process

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So, not everybody agrees with me on what a fragment is .  As has been pointed out years ago, FBDD can be a FADD .  In this paper , from ea...
10 comments:
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