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: 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...
practicalfragments.blogspot.com
Practical Fragments: Covalent, destabilizing fragments against TB target BioA
http://practicalfragments.blogspot.com/2014/04/covalent-destabilizing-fragments.html
This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Covalent, destabilizing fragments against TB target BioA. Differential scanning fluorimetry ( DSF. Barry Finzel and coworkers at the University of Minnesota follow up on one of these with very interesting results. The researchers were interested in the enzyme 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis. By more than 2 °. BioA is a tra...
practicalfragments.blogspot.com
Practical Fragments: Beware molecular obesity
http://practicalfragments.blogspot.com/2011/06/beware-molecular-obesity.html
This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Obesity in humans is a growing problem, and not just aesthetically: the condition may be responsible for millions of premature deaths. In a recent article. In Med. Chem. Commun. Mike Hann of GlaxoSmithKline notes that “molecular obesity” is also leading to the untimely demise of far too many drug development programs. Tools such as the Rule of 5. One of the themes ...
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