DOI: 10.1093/bioinformatics/btn415. PK/DB: database for pharmacokinetic properties and predictive <i>in silico</i> ADME models

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

10.1093/bioinformatics/btn415

Crossref journal-article

Oxford University Press (OUP)

Bioinformatics (286)

Abstract

Abstract Summary: 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 Contact: aandrico@if.sc.usp.br

Bibliography

Moda, T. L., Torres, L. G., Carrara, A. E., & Andricopulo, A. D. (2008). PK/DB: database for pharmacokinetic properties and predictive in silico ADME models. Bioinformatics, 24(19), 2270â2271.

Authors 4

Tiago L. Moda (first)
Leonardo G. Torres (additional)
Alexandre E. Carrara (additional)
Adriano D. Andricopulo (additional)

References 7 Referenced 70

{'key': '2023020211251597000_B1', 'first-page': '34', 'article-title': "FDA and drug companies alike want ADME-tox testing performed earlier and earlier in a drug's life cycle", 'volume': '10', 'author': 'Canavan', 'year': '2007', 'journal-title': 'Drug Discov. Dev'} / Drug Discov. Dev / FDA and drug companies alike want ADME-tox testing performed earlier and earlier in a drug's life cycle by Canavan (2007)
10.2174/157018007779422505 / Lett. Drug Des. Discov / Classical and hologram QSAR studies on a series of tacrine derivatives as butyrylcholinesterase inhibitors by Castilho (2007)
10.2174/092986708783330683 / Curr. Med. Chem / Virtual screening and its integration with modern drug design technologies by Guido (2008)
10.1093/bioinformatics/bti314 / Bioinformatics / Prediction methods and databases within chemoinformatics: emphasis on drug and drug candidates by Jónsdóttir (2005)
10.1016/j.bmc.2007.08.060 / Bioorg. Med. Chem / Hologram QSAR model for the prediction of human oral bioavailability by Moda (2007)
10.2174/157018007781788480 / Lett. Drug. Des. Discov / In silico prediction of human plasma protein binding using hologram QSAR by Moda (2007)
10.1002/cmdc.200600155 / ChemMedChem / Prediction of ADMET properties by Norinder (2006)

Dates

Type	When
Created	17 years ago (Aug. 6, 2008, 8:25 p.m.)
Deposited	2 years, 6 months ago (Feb. 2, 2023, 6:27 a.m.)
Indexed	2 months, 4 weeks ago (May 27, 2025, 12:51 a.m.)
Issued	17 years ago (Aug. 6, 2008)
Published	17 years ago (Aug. 6, 2008)
Published Online	17 years ago (Aug. 6, 2008)
Published Print	16 years, 10 months ago (Oct. 1, 2008)

Funders 0

None

BibTeX

@article{Moda_2008, title={PK/DB: database for pharmacokinetic properties and predictive in silico ADME models}, volume={24}, ISSN={1367-4803}, url={http://dx.doi.org/10.1093/bioinformatics/btn415}, DOI={10.1093/bioinformatics/btn415}, number={19}, journal={Bioinformatics}, publisher={Oxford University Press (OUP)}, author={Moda, Tiago L. and Torres, Leonardo G. and Carrara, Alexandre E. and Andricopulo, Adriano D.}, year={2008}, month=aug, pages={2270–2271} }

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