Drug Target Review

APRIL 7, 2025

Advancements in screening technologies for small-molecule drug discovery including cellular assays, computational screening, and biophysics-based methods enhanced by structural biology breakthroughs have improved screening hit rates and facilitated the identification of drug candidates for previously undruggable targets.

Fragment Screening 52

Fragment Screening Drugs Small Molecule Biophysical Assays 52

Drug Target Review

NOVEMBER 1, 2023

So that is a wide range of techniques to look at the protein-ligand interactions, all with the aim to guide the optimisation of our first screening hits to potent inhibitors that hopefully are cell-active at some point. You need to be resilient because science is difficult and things will fail.

Fragment Screening 96

Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Drug Hunter

AUGUST 21, 2023

A) Progression of a Novartis HAT program from a screening hit to brain-penetrant leads. This program started from an HTS screen of 3M compounds, resulting in a singleton hit (Figure 17). Figure 18. B) Results from a computational model of brain-penetration correlated well with actual K p ’s across the series.

Drugs 206

Drugs Disease Targeted Protein Degradation Screening Hits 206

Practical Cheminformatics

AUGUST 3, 2023

It is quite a bit more potent than the values one finds with screening hits, which typically have IC50s in the single to double-digit µM range. Numerous academic computer science groups have entered the field and applied cutting-edge deep learning techniques to life science-related problems.

Drugs 84

Drugs Biochemical Assays Metabolic Stability Screening Hits 84