Practical Cheminformatics

OCTOBER 8, 2024

While there was a slight chance that my roommates, with no chemistry knowledge, could have accidentally created the structure of a blockbuster drug, it was highly improbable. These fragment hits are small molecules with between 11 and 21 heavy atoms. My usual response was, "Something that could never exist."

Fragment Screening 130

Fragment Screening Packaging Organic Chemistry Small Molecule 130

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.

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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