Explore
Home 
Literature 
Links 
Posts 
Molecules 
Blogs 
Zeitgeist 
Markup Help 
News 

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

Most recent posts

Computational screening continues to improve, due in part to a better understanding of the energetics of protein-ligand interactions. But for low affinity fragments, differentiating binders from nonbinders is still challenging. In a recent paper in Nature Chemistry,...
Last September we highlighted two papers out of Novartis in which various fragment-based methods delivered two separate series of low nanomolar inhibitors against the histone methyltransferase DOT1L, an epigenetic anticancer target. The next installment of...
Among fragment-linking approaches, protein-templated reactions have a special appeal. When two fragments that bind next to one another on a protein react, the protein essentially creates its own ligand. The reaction can be reversible, as in dynamic combinatorial...

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...