NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

The discovery of a drug requires over a decade of intensive research and financial investments – and still has a high risk of failure. To reduce this burden, we developed the NICEdrug.ch resource, which incorporates 250,000 bioactive molecules, and studied their enzymatic metabolic targets, fate, an...

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Bibliographic Details
Main Authors: Homa MohammadiPeyhani, Anush Chiappino-Pepe, Kiandokht Haddadi, Jasmin Hafner, Noushin Hadadi, Vassily Hatzimanikatis
Format: Article
Language:English
Published: eLife Sciences Publications Ltd 2021-08-01
Series:eLife
Subjects:
ligand-based drug discovery
drug clustering
drug metabolic fate
drug similarity
enzyme inhibition
nutraceuticals
Online Access:https://elifesciences.org/articles/65543

Internet

https://elifesciences.org/articles/65543

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