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

Most recent posts

The current poll on how much structural information is needed for fragment optimization is still open - if you haven't done so already, please vote on the right hand side. Last week we discussed new developments in NMR. This week we turn to crystallography.Fragment...
Our latest poll asks how much structural information you need to advance a fragment (please vote on the right hand side of the page). On this subject, a recent paper by Marielle Wlti, Roland Riek, and Julien Orts in Angew Chem. demonstrates a new NMR method.Researchers...
As mentioned last week, advancing fragments in the absence of structure is a major challenge. But how much of a barrier is it really?I know some researchers who would not consider moving forward with a fragment in the absence of a crystal structure. As crystallography...

Most popular posts

Last year we highlighted work out of Ben Cravatts group at Scripps on screening covalent fragments in cells. Now, in a new Cell paper, his group and collaborators at the cole Polytechnique Fdrale de Lausanne, Bristol-Myers Squibb, and the Salk Institute...
Teddys retirement from the blog has cut down on the numberof PAINS-shaming posts, and truth be told there are so many candidate papers that they could easily swamp fragments, which I suspect would drive away most of the readership. That said, I did want to...
Weve written previously about irreversible covalent fragment-based lead discovery. The nice thing about irreversible inhibitors is that they have an infinite off-rate: once they bind and react with a target, that protein is permanently out of action. A paper...

Latest posts linking here

I’ve very much been enjoying this paper, on fragment-based chemogenomics in whole cells. That’s the sort of blurb, I admit, that’s probably going to make you immediately want to read the rest of the paper, or immediately go do something else...
I really enjoyed reading this article in J. Med. Chem. on curcumin. (Update: here’s the take over at Practical Fragments). That’s a well-known natural product, found in large quantities in turmeric root (which is where most of the yellow color comes...
What happens when you expose a reactive, covalent-bond-forming compound to cell extracts (or to living cells)? The answer is complicated. You might expect the compound to go around grabbing every reactive group it sees, shotgunning across the proteins it encounters...