Covalent Modifiers

MARCH 19, 2024

Herein, we describe a covalent fragment screen that identified the chloroacetohydrazide scaffold as a covalent UCHL1 inhibitor. Subsequent optimization provided an improved fragment with single-digit micromolar potency against UCHL1 and selectivity over the closely related UCHL3.

Fragment Screening 70

Fragment Screening Disease Treatment 70

Practical Cheminformatics

MARCH 28, 2022

Clustering Fragment Screening Hits With a Self-Organizing Map (SOM) In a paper, " Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking ", published last year by scientists from UCSF and the Diamond Light Source, the authors reported more than 200 structures of fragments bound (..)

Fragment Screening 52

Fragment Screening Screening Hits 52

Drug Discovery Today

NOVEMBER 11, 2020

Integrated lead optimisation to advance APEIRON’s Cbl-b inhibitor development programme APN431; Inhibitors discovered at Domainex via virtual and fragment screening

Fragment Screening 100

Fragment Screening Therapies Drugs 100

Drug Target Review

NOVEMBER 1, 2023

In terms of compound libraries, we have a high-throughput screening library of about 200,000 ligands. For fragment screening, which are much smaller compounds, we have a library of about 3000 fragments. We can screen with many different formats and modalities.

Fragment Screening 96

Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Practical Cheminformatics

AUGUST 21, 2021

Adding Chemical Structures to a Recent COVID-19 Drug Repurposing Dataset Filtering Chemical Libraries Data Visualization / Plotting A Collection of Things I Frequently Forget How To Do With Seaborn Scatterplots Interactive Plots with Chemical Structures Visualizing Chemical Space Plotting Distributions Molecular Modeling Exploring the SARS-CoV-2 Main (..)

Fragment Screening 40

Fragment Screening Science Drugs 40

Dark Matter Blog

APRIL 4, 2023

We sampled several screening platforms in the course of our efforts, including fragment screening using ligand-observed nuclear magnetic resonance (NMR), DNA-encoded libraries (DEL), and SEC-MS. Each of these platforms is thoroughly vetted in protein world, but using them on RNA can yield surprising results.

Small Molecule 52

Small Molecule RNA Fragment Screening DNA 52

Sygnature Discovery

APRIL 26, 2022

Their world-class expertise in protein crystallography will enhance our fragment screening and analysis activities, as well as our structure-based drug design work.” Mark Abbott, CEO of Peak Proteins, commented: “We have always valued Sygnature Discovery’s support and are now really pleased to be joining them.

Fragment Screening 52

Fragment Screening Protein Production Protein Expression Production 52