In silico platform for xenobiotics ADME-T pharmacological properties modeling and prediction. Part I: beyond the reduction of animal model use

• Published in: Drug discovery today Vol. 14; no. 7; pp. 401 - 405
• Main Authors: Huynh, Lucie, Masereeuw, Rosalinde, Friedberg, Thomas, Ingelman-Sundberg, Magnus, Manivet, Philippe
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 01-04-2009; Elsevier
• Subjects: Animals; Biological and medical sciences; Computational Biology - methods; Computer Simulation - trends; Drug Industry - trends; Forecasting; General pharmacology; Humans; Medical sciences; Medicin och hälsovetenskap; Models, Biological; Pharmaceutical technology. Pharmaceutical industry; Pharmacokinetics; Pharmacology. Drug treatments; Quantitative Structure-Activity Relationship; Tissue Distribution; Xenobiotics - adverse effects; Xenobiotics - pharmacokinetics; Animal model; Reduction; Pharmaceutical technology; Prediction; In silico; Modeling; Xenobiotic
• ISSN: 1359-6446; 1878-5832; 1878-5832
• DOI: 10.1016/j.drudis.2009.01.009

There is an urgent need for efficient
in silico ADME-T prediction tools for the selection of potent therapeutic drugs as well as the elimination of toxic compounds. This is particularly important in view of the high costs and ethical issues inherent to the use of animal models for drugs filtering. To achieve this mission, not only does the accuracy of
in silico tools need to be improved, but also new experts in the field with skills in theoretical chemistry, clinical and fundamental biology have to be trained. Similarly, clinical biologists committed to the obligation of means and legally responsible for the results they generate could establish a legal framework that defines legal responsibilities when performing
in silico predictions.