Practical Fragments

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

27 April 2026

Fragments vs DsbA: towards a chemical probe

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Despite its ubiquitous use as a model organism, Escherichia coli causes nearly a million deaths each year worldwide. Antibiotics provoke ra...
20 April 2026

Twenty-First Annual Fragment-Based Drug Discovery Meeting

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Last week some 875 people attended the CHI Drug Discovery Chemistry ( DDC ) meeting in San Diego. I can’t do justice to the 40 or so present...
2 comments:
13 April 2026

Fragments vs the E3 ligase KLHL12

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Last week we highlighted work out of Steve Fesik’s lab at Vanderbilt University about PLPro. This week we’ll highlight another paper just p...
06 April 2026

From noncovalent fragment to (non)covalent leads against PLPro

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The most successful drug against COVID-19, nirmatrelvir, targets the main protease of SARS-CoV-2. As we discussed just last year, this prot...
01 April 2026

NICELE: everyone gets an A+!

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Since the invention of ligand efficiency ( LE ) more than two decades ago, scholars have been debating its strengths and weaknesses. And alt...
3 comments:
23 March 2026

Ligand reactivity efficiency (LRE)

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As covalent drug discovery continues to rise, the demand for metrics to help guide lead optimization is increasing. Last year we discussed c...
5 comments:
16 March 2026

Malicious metals muddy fragment-to-lead optimization

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Despite the effectiveness of vaccines against SARS-CoV-2, COVID-19 continues to plague us. The handful of approved small molecule drugs targ...
09 March 2026

Selectivity in cells may vary

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Last year we celebrated the ten-year anniversary of the Chemical Probes Portal. One of the key requirements for a chemical probe is selecti...
5 comments:
02 March 2026

Best practices for applying HDX-MS to FBLD

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Among the many biophysical techniques presented at the recent Novalix meeting , hydrogen/deuterium exchange mass spectrometry ( HDX-MS ) was...
23 February 2026

Twelfth Novalix Biophysics in Drug Discovery Conference

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Last week the Twelfth Novalix Biophysics in Drug Discovery Conference was held for the first time in La Jolla, California. It’s been severa...
16 February 2026

3D fragments vs the histamine H1 receptor

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Last month we highlighted a paper from Iwan de Esch and colleagues at Vrije Universiteit Amsterdam about assessing molecular shapeliness....
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