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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

Last month we highlighted how fragments could be used to discover inhibitors of protein-protein interactions (PPIs). Today we continue the theme of fragments vs PPIs, in this case the interaction between PEX14 and PEX5, proteins which are important for glucose...
Native electrospray ionization mass spectrometry (ESI-MS) is one of the less-commonly used fragment finding methods. The technique relies on gently ionizing a protein-fragment complex without causing denaturation; bound fragments reveal themselves as shifts...
Covalent drugs are a thing these days: as long as you can get selectivity, theres nothing like a covalent bond to juice up affinity for a target. Screening for covalent fragments is thus a reasonable approach, and multiple researchers have assembled libraries...

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...