fbdd-lit.blogspot.com

practicalfragments.blogspot.com

Practical Fragments: Fragments and HTS vs BCATm

http://practicalfragments.blogspot.com/2015/08/fragments-and-hts-vs-bcatm.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Fragments and HTS vs BCATm. One of the themes throughout this blog is that fragments are useful not just in and of themselves, but as part of a broader tool kit, what Mark Whittaker referred to as fragment-assisted drug discovery, or FADD. A nice example of this has just been published. In J Med. Chem. The researchers were unable to determine a crystal structure of...

practicalfragments.blogspot.com

Practical Fragments: Novel Assay (SPR) Leads to Novel Allosteric Binding Site (nAChR)

http://practicalfragments.blogspot.com/2015/07/novel-assay-spr-leads-to-novel.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Novel Assay (SPR) Leads to Novel Allosteric Binding Site (nAChR). I love this blog. But sometimes it drags. Finding new articles to blog about can be hard, there seems to be waves. So, I love it when someone points one out to me. This article. Figure 2. Allosteric Binding Sites. Subscribe to: Post Comments (Atom). Editor in Chief Dan Erlanson. Fragment-Based Method...

practicalfragments.blogspot.com

Practical Fragments: The Value of DSF

http://practicalfragments.blogspot.com/2015/08/the-value-of-dsf.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. The Value of DSF. Science is based upon incremental advances of previous work. A year ago, Dan blogged. About worked on BioA. The key take home from that work was that a hydrazine fragment ended up destabilizing the target by 18C. It ended up being, as expected, a reversible, SAM-competitive inhibitor with modest potency. As Dan concluded:. Little correlation betwe...

practicalfragments.blogspot.com

Practical Fragments: Who's Reviewing this Crap?

http://practicalfragments.blogspot.com/2014/06/whos-reviewing-this-crap.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Who's Reviewing this Crap? Dan and I teach a short course. On FBDD; next chance to catch a version in October. My favorite part of Dan's section is when he goes off on PAINS and the continuing pollution. Well, here is our first PAINS Shaming. This paper. Pointed out by Matt Netherton at B-I, thanks Matt! Because rhodanines as a class are known to often have activit...

quantumtessera.com

Strategic Partners – Quantum Tessera Consulting

http://www.quantumtessera.com/chemicalequitygroup

Putting Together the Pieces for Small and Large Molecule Discovery and Development. Fragment Based Hit Generation References. Events, News, and Updates. As a virtual CRO. Our longtime partner, Spinnovation. We have worked with them for over 3 years utilizing all of their NMR capabilities: 1H, 19F, 31P, 13C, and 15N. We utilize the Mnova. Software for all analysis. Our deep expertise in NMR means that we can provide you the best NMR method to meet your needs. Enriched, 1000 PPI focused fragments, 8,400 fr...

practicalfragments.blogspot.com

Practical Fragments: Ligand Lipophilicity Efficiency AT Astex Therapeutics

http://practicalfragments.blogspot.com/2011/06/ligand-lipophilicity-efficiency-at.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Ligand Lipophilicity Efficiency AT Astex Therapeutics. Discussed the growing plague of molecular obesity, and how numerous metrics have been designed to control it. In a paper published online. In J Comput. Aided Mol. Des. Paul Mortenson and Chris Murray of Astex describe a new one: LLE AT. To address these problems, Mortenson and Murray have tried to strip out the...

practicalfragments.blogspot.com

Practical Fragments: Fragments in the Clinic: 2010 Edition

http://practicalfragments.blogspot.com/2010/09/fragments-in-clinic-2010-edition.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Fragments in the Clinic: 2010 Edition. It’s been a while since we last tried to tabulate all the drugs derived from fragment-based drug discovery that have entered the clinic. Below is an attempt, culled together from a variety of sources. Those that have been covered on Practical Fragments are hyperlinked to the relevant post. ABT 263 Abbott Bcl-2/Bcl-xL inhibitor.

practicalfragments.blogspot.com

Practical Fragments: Fragments vs PAK1 – allosterically

http://practicalfragments.blogspot.com/2015/08/fragments-vs-pak1-allosterically.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Fragments vs PAK1 – allosterically. Of our recent posts. Have discussed the use of fragment-based approaches to discover selective new chemical probes. Continuing this theme, a paper. From Alexei Karpov and colleagues at Novartis in ACS Med. Chem. Lett. Describes a success story against the kinase PAK1. Of the enzyme. Despite its binding mode, it did appear to ...

practicalfragments.blogspot.com

Practical Fragments: Fragments vs Tankyrases: DSF shines again

http://practicalfragments.blogspot.com/2013/07/fragments-vs-tankyrases-dsf-shines-again.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Fragments vs Tankyrases: DSF shines again. The two human tankyrase isoforms, TNKS1 and TNKS2, are members of the PARP family. Of proteins, which has received considerable attention as a pool of potential anticancer targets. In a recent paper. In J Med. Chem. And a sobering reminder of how subtle changes could make the difference between finding a fragment or not.

practicalfragments.blogspot.com

Practical Fragments: Introducing the Chemical Probes Portal

http://practicalfragments.blogspot.com/2015/07/introducing-chemical-probes-portal.html

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Introducing the Chemical Probes Portal. Chemical probes can be incredibly powerful reagents for understanding biology. A potent, selective, and cell-active modulator of a specific protein can be invaluable for figuring out what that protein actually does. Fragment-based methods can be effective at identifying these tool compounds, as we've described here. It should...