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Positive Impact of Dragonfly™ Discovery in Biochemical Assay

Zobio

Biochemical assays are commonly used to assess how organic compounds impact the activity of a protein of interest (POI). Het bericht Positive Impact of Dragonfly™ Discovery in Biochemical Assay verscheen eerst op ZoBio - Drug Discovery Technology.

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

Molecular Design

A number of peptidomimetic Mpro inhibitors have been described in the literature and this blog post by Chris Southan may be of interest. Here’s a blog post by Pat Walters in which he examines the structure-activity relationships emerging for the fragment-derived inhibitors.

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Top 10 Drug Discovery Trends at the Top 20 Pharma

PerkinElmer

Biochemical assays have the highest success rate. The top 20 Pharma are moving away from proteins in biochemical assays and overexpressed targets in simple cell lines toward more physiologically relevant assays using primary cells, cocultures, 3-D cell systems, or organoids. Biologics are booming. Think again.

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Variability in biological activity measurements reported in the drug discovery literature

Molecular Design

As is usual for blog posts here at Molecular Design , quoted text is indented with my comments enclosed in square brackets in red italics. These include the following: Different assay conditions: these can include different buffers, experimental pH, temperature, and duration.

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Accelerating Medicinal Chemistry Cycle Times Through Cloud-Accessible Smart Automated Labs - A Preview of Strateos’ Presentation at SLAS 2022

The Strateos Blog: Drug Discovery

Additionally, Strateos' Senior Director of R&D Strategy, Daniel Rines, Ph.D.,  will be participating in a panel discussion during SLAS2022 February 7th 4:30-6:00pm EST alongside other thought leaders to discuss artificial intelligence in labs now and in the future.

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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

Recent blog posts from Greg Landrum examined the impact of combining IC50 and Ki data from different assays. While Greg found that combining data from Ki assays is sometimes acceptable, the situation with IC50 data was more dire. For example, the widely used MoleculeNet BACE dataset was collected from 55 papers.

Drugs 91
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Are fused tetrahydroquinolines interfering with your assay?

Molecular Design

I’ll make some comments on PAINS filters before I discuss B2023 in detail and much of what I’ll be saying has already been said in K2017 and C2017 (Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS) although you shouldn’t need to consult these articles in order to read the blog post unless you want to get some (..)