PK/DB: database for pharmacokinetic properties and predictive in silico ADME models.
| Autor: | Moda TL; Laboratory of Computational and Medicinal Chemistry, Center for Structural Molecular Biotechnology, Institute of Physics of São Carlos, University of São Paulo, São Carlos-SP 13566-970, Brazil., Torres LG, Carrara AE, Andricopulo AD |
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| Jazyk: | angličtina |
| Zdroj: | Bioinformatics (Oxford, England) [Bioinformatics] 2008 Oct 01; Vol. 24 (19), pp. 2270-1. Date of Electronic Publication: 2008 Aug 06. |
| DOI: | 10.1093/bioinformatics/btn415 |
| Abstrakt: | Unlabelled: The study of pharmacokinetic properties (PK) is of great importance in drug discovery and development. In the present work, PK/DB (a new freely available database for PK) was designed with the aim of creating robust databases for pharmacokinetic studies and in silico absorption, distribution, metabolism and excretion (ADME) prediction. Comprehensive, web-based and easy to access, PK/DB manages 1203 compounds which represent 2973 pharmacokinetic measurements, including five models for in silico ADME prediction (human intestinal absorption, human oral bioavailability, plasma protein binding, blood-brain barrier and water solubility). Availability: http://www.pkdb.ifsc.usp.br |
| Databáze: | MEDLINE |
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