Out now in Drug Target Review, Optibrium’s Director of Computational Chemistry, Dr Peter Hunt discusses why early in silico metabolism prediction is crucial to mitigate the problem of clinical-stage drug failures. He shares insights on in silico modelling methods and how you can ensure a smooth transition from preclinical to clinical analysis. The article also talks through a real-world example where early stage modelling could have saved huge expense and effort.

Introduction

Approximately 40% of drug failures at the clinical stage are due to ADMET issues1. These failures are often due to problems around drug metabolism, including poor metabolic stability resulting in low bioavailability of the active compound, unforeseen drug-drug interactions or the formation of reactive or toxic metabolites causing adverse side effects. To overcome these issues and avoid wasting time and money in fruitless experimental trials, early in silico metabolism prediction is crucial.

1] Kola I, Landis J. Can the pharmaceutical industry reduce attrition rates? Nat. Rev. Drug Discov. 2004 Aug;3(8):711–6.

About the author

Peter Hunt, PhD

Director Computational Chemistry, Optibrium

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Peter Hunt, PhD

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