Molecular Design

MAY 26, 2020

|| next >> It’s been ages since the last blog post. However, I do realize that many people only follow the blog for the April Fools posts so I’ll link them here for easy reference [ 2013 | 2015 | 2016 | 2017 | 2018 | 2019 ]. 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

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

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

Dark Matter Blog

APRIL 4, 2023

The bulk of my nearly three decades of experience up to that point was with drugging protein targets using a variety of modalities, but principally small molecules. It’s all well and good to say, “we should drug RNA,” but which RNA? Prior to 2015, I had a casual relationship, at best, with targeting RNA. Welcome to the RNA world.

Small Molecule 52

Small Molecule RNA Fragment Screening DNA 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

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