PK/DB: database for pharmacokinetic properties and predictive in silico ADME models

Bioinformatics. 2008 Oct 1;24(19):2270-1. doi: 10.1093/bioinformatics/btn415. Epub 2008 Aug 6.

Abstract

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

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Absorption
  • Biological Transport
  • Computer Simulation
  • Databases, Factual*
  • Humans
  • Intestinal Absorption
  • Metabolic Networks and Pathways
  • Models, Biological
  • Pharmaceutical Preparations / metabolism
  • Pharmacokinetics*

Substances

  • Pharmaceutical Preparations