Computational Chemistry Approach in the Assessment of Potential Acyl Glucuronide-Mediated Toxicity

This modeling approach can be applied during drug discovery to reduce the risk of metabolite-related toxicity by enabling in silico screening of compound modifications and ranking them based on predicted effects on acyl glucuronide half-life.

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Publication Details

Journal
Current Drug Metabolism
Published
2026-01-22
DOI
https://doi.org/10.2174/0113892002401464251121074008
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00
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article

Computational Chemistry Approach in the Assessment of Potential Acyl Glucuronide-Mediated Toxicity

Mithat Gunduz, Russell Jones, Markus Walles, Nathan D Ricke et al.
Current Drug Metabolism
Computational Drug Discovery Methods
article

Computational Chemistry Approach in the Assessment of Potential Acyl Glucuronide-Mediated Toxicity

Mithat Gunduz, Russell Jones, Markus Walles, Nathan D Ricke, John B. Davis
article en

Abstract

This modeling approach can be applied during drug discovery to reduce the risk of metabolite-related toxicity by enabling in silico screening of compound modifications and ranking them based on predicted effects on acyl glucuronide half-life.

Current Drug MetabolismVol. 27
Novartis (Switzerland) (CH)
Openalex Percentile: Top 74%
Computational Drug Discovery Methods
DOISourceOpenAlex
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Computational Chemistry Approach in the Assessment of Potential Acyl Glucuronide-Mediated Toxicity — Mithat Gunduz, Russell Jones, et al. · Current Drug Metabolism (2026) | TGRS Research Map | TGRS