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

Drug Target Review

APRIL 7, 2025

The challenge of GPCR drug discovery G protein-coupled receptors (GPCRs) are one of the most desirable and challenging target classes in drug discovery, as their mutation can lead to a wide range of diseases such as cancer, cardiovascular disorders and neurological conditions.

Fragment Screening 52

Fragment Screening Drugs Small Molecule Biophysical Assays 52

Molecular Design

MAY 26, 2020

I’m currently in Trinidad so I’ll share a photo from Berwick-on-Sea, on Trinidad's north coast (and the correspondence address for a two [ K2017 | K2019 ] of my more controversial articles). Martin and I wrote a short article which we uploaded to figshare and Martin also did a blog post.

Fragment Screening 52

Fragment Screening Drugs 52

Molecular Design

JULY 18, 2020

Satchel Paige (1906-1982) The COVID Moonshot and OSC19 are examples of what are sometimes called crowdsourced or open source approaches to drug discovery. Open source drug discovery originated with OSDD in India and it should be noted that the approach has also been pioneered for malaria by OSM.

Biochemical Assays 52

Biochemical Assays Fragment Screening Pharmacokinetics Drugs 52

Molecular Design

AUGUST 2, 2020

Paramin panorama Crystallographic fragment screens have been run recently against the main protease (at Diamond ) and the Nsp3 macrodomain (at UCSF and Diamond ) of SARS-Cov-2 and I thought that it might be of interest to take a closer look at why we screen fragments.

Fragment Screening 40

Fragment Screening Computational Chemistry Engineering Drugs 40

Molecular Design

JANUARY 12, 2021

> It’s been ages since my last COVID-19 post (How not to repurpose a 'drug') and I’ll kick blogging off for 2021 with a follow up to an even older post (SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments). Pfizer began a phase I study of the SARS-CoV-2 main protease inhibitor PF-00835321 (K i = 0.27

Fragment Screening 52

Fragment Screening Treatment Nurses Doctors 52

PerkinElmer

JUNE 3, 2022

Inhibiting SARS-CoV-2 Proteases Currently, limited therapeutic options are available to those who are infected with SARS-CoV-2 and attempts to repurpose approved drugs have shown minimal success so far. The second virtual screen focused on optimization of a hit from a previous crystallographic fragment screen.

Fragment Screening 52

Fragment Screening Clinical Trials Vaccine Pharmacokinetics 52