Chemical Biology and Drug Design

MARCH 14, 2025

Fragment-based drug discovery (FBDD) was applied to cytochrome P450 3A4 reconstituted in Nanodiscs (NDs) with various lipid compositions. The choice of ND lipid influenced drug membrane interactions and fragment hit rates, demonstrating the critical role of the membrane environment in fragment screening for membrane proteins.

Fragment Screening 100

Fragment Screening Pharmacokinetics Drugs Marketing 100

Molecular Design

JULY 18, 2020

I’ve been looking at the published inhibitors shown below in Chart 1 (which exhibit antiviral activity and have been subjected to pharmacokinetic and toxicological evaluation) and have written some notes on mapping the structure-activity relationship for compounds like these.

Biochemical Assays 52

Biochemical Assays Fragment Screening Pharmacokinetics Drugs 52

PerkinElmer

JUNE 3, 2022

The second virtual screen focused on optimization of a hit from a previous crystallographic fragment screen. Fragment-to-lead optimization was guided by searches in a library of millions of compounds combined with docking screens to select the best candidate.

Fragment Screening 52

Fragment Screening Clinical Trials Vaccine Pharmacokinetics 52