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Donafenib , sold under the brand name Zepsun , is a pharmaceutical drug for the treatment of cancer. Deuterium in drug discovery: progress, opportunities and challenges. Nature Reviews Drug Discovery, DOI: 10.1038/s41573-023-00703-8, published online 5 June 2023 ACS Omega 2021, 6, 5532−5547. Drugs 2021, 81, 1915−1920.
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.
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].
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.
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.
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.
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 drugmetabolism. Glucuronidation is the most common phase II reaction observed in the metabolism of drugs in humans.
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.
Breaking C-F bonds in drugs – metabolism mediated release of fluorine By Samuel Coe and Julia Shanu-Wilson Lenacapavir, recently approved for multi-drug resistant HIV-1 infection, contains 10 fluorine atoms. Increasingly used in drug design, some drug structures are now bristling with fluorine atoms.
Small but mighty: the impact of tertiary alcohols in drug design By Julia Shanu-Wilson Creating a drug with perfect drug-like properties is a tough challenge. An often-overlooked group that can significantly influence drug-like properties is a tertiary alcohol (3 o ROH).
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