Fragment Screening and Pharmacokinetics

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Fragment Screening

Pharmacokinetics

SARS-CoV-2 Protease Inhibitors: An Attractive Approach for Treating COVID-19

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

Fragment Screening Clinical Trials Vaccine Pharmacokinetics

SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments

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

Biochemical Assays Fragment Screening Pharmacokinetics Drugs

Drug Discovery Digest

SARS-CoV-2 Protease Inhibitors: An Attractive Approach for Treating COVID-19

SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments

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