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MetID Guided Drug Design

Metabolite Tales Blog

MetID Guided Drug Design MetID guided target design is the topic of our paper pick for February, published by Li and colleagues at Merck. 9b00431 The post MetID Guided Drug Design appeared first on Hypha Discovery. There are multiple facets to the story, of which only a selection are highlighted below. Woodhouse, B.

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Metabolism of macrocyclic drugs

Metabolite Tales Blog

Metabolism of de novo-designed macrocyclic drugs approved by the FDA By Julia Shanu-Wilson To date, only 4% (67) of FDA approved drugs are macrocycles [1]. Not only this, the reduction in rotatable bonds and consequent reduction in susceptibility to metabolism is an additional benefit [4].

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Metabolism of 2022 FDA approved small molecule drugs PART 2

Metabolite Tales Blog

Metabolism of 2022 FDA approved small molecule drugs part 2 Mixing it Up By Julia Shanu-Wilson In Part 1 of this topic we looked at metabolism of the small molecule drugs approved by the FDA in 2022 that were mediated by CYP3A4.

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Metabolism of de novo designed macrocyclic drugs

Metabolite Tales Blog

Metabolism of de novo-designed macrocyclic drugs approved by the FDA By Julia Shanu-Wilson To date, only 4% (67) of FDA approved drugs are macrocycles [1]. Previously natural products have provided the source of 80-90% of macrocyclic drugs, not surprising given that 20% of natural product derived ring systems are macrocyclic.

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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

Most papers describing new methods for machine learning (ML) in drug discovery report some sort of benchmark comparing their algorithm and/or molecular representation with the current state of the art. Recent blog posts from Greg Landrum examined the impact of combining IC50 and Ki data from different assays.

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N-glucuronidation: the human element

Metabolite Tales Blog

N -glucuronidation: the human element By Julia Shanu-Wilson In our last blog of the year, we look at why N -glucuronidation of drugs is important in human drug metabolism. Glucuronidation is the most common phase II reaction observed in the metabolism of drugs in humans.

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Metabolism of five membered nitrogen containing heterocycles

Metabolite Tales Blog

This mix of properties makes azoles very versatile in medicinal chemistry and each tend to have quirks of metabolism that we highlight in this blog. that highlighted specific biotransformations of five-membered heteroaromatic rings, 1 we have sought to highlight additional examples and recent understanding in their metabolism.