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


BACKGROUND
http://www.pkdb.ifsc.usp.br
Moda
Tiago L
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
Leonardo G
LG
Carrara
Alexandre E
AE
Andricopulo
Adriano D
AD
D000042:Absorption; D001692:Biological Transport; D003198:Computer Simulation; D016208:Databases, Factual; D006801:Humans; D007408:Intestinal Absorption; D053858:Metabolic Networks and Pathways; D008954:Models, Biological; D004364:Pharmaceutical Preparations / Q000378:metabolism; D010599:Pharmacokinetics
D004364:Pharmaceutical Preparations