Chemical Biology and Drug Design

FEBRUARY 3, 2025

An in-house molecule library was screened using in silico molecular docking, and a myo-inositol derivative was identified as a potent hit molecule. The invitro biochemical assays validated that J1-65 inhibits PTP-PEST activity competitively and the inhibitor binding stabilizes the protein-ligand complex.

Small Molecule 100

Small Molecule Biochemical Assays Regulations Drugs 100

Molecular Design

DECEMBER 19, 2023

I’ll be taking a look at H2023 (Expanding Chemical Probe Space: Quality Criteria for Covalent and Degrader Probes) in this post and this article has also been discussed In The Pipeline. Carefully designed biochemical assays used in determining IC50 values can be well-suited as surrogates for k.inact/K.i measurements. (

Small Molecule 65

Small Molecule Biochemical Assays Cell Based Assays Drugs 65

Drug Target Review

JANUARY 5, 2024

Å resolution) 6 is now being targeted for small molecule inhibitor discovery and development, by exploiting emergent computational tools to identify potential candidate compounds in silico and then test these predicted inhibitors in in vitro biochemical assays. NIH R01 DA048153 (to D.P.S.),

Small Molecule 59

Small Molecule Drugs Biochemical Assays Regulations 59

Molecular Design

DECEMBER 6, 2023

I’ll be taking a look at B2023 (Fused Tetrahydroquinolines Are Interfering with Your Assay) in this post. The article has already been discussed in posts at Practical Fragments and In The Pipeline. These compounds are found ubiquitously throughout commercial and academic small molecule screening libraries. [

Biochemical Assays 52

Biochemical Assays Small Molecule Drugs Laboratories 52