DOI: 10.1093/bioinformatics/btq584. The SMARTCyp cytochrome P450 metabolism prediction server

The SMARTCyp cytochrome P450 metabolism prediction server

10.1093/bioinformatics/btq584

Crossref journal-article

Oxford University Press (OUP)

Bioinformatics (286)

Abstract

Abstract Summary: The SMARTCyp server is the first web application for site of metabolism prediction of cytochrome P450-mediated drug metabolism. Availability: The SMARTCyp server is freely available for use on the web at www.farma.ku.dk/smartcyp where the SMARTCyp Java program and source code is also available for download. Contact: smartcyp@farma.ku.dk; lo@farma.ku.dk Supplementary information: Supplementary data are available at Bioinformatics online.

Bibliography

Rydberg, P., Gloriam, D. E., & Olsen, L. (2010). The SMARTCyp cytochrome P450 metabolism prediction server. Bioinformatics, 26(23), 2988â2989.

Authors 3

Patrik Rydberg (first)
David E. Gloriam (additional)
Lars Olsen (additional)

References 18 Referenced 126

10.1146/annurev.pharmtox.39.1.1 / Ann. Rev. Pharmacol. Toxicol. / Cytochrome P-450 3A4: regulation and role in drug metabolism by Guengerich (1999)
10.1021/ci050400b / J. Chem. Inf. Model. / Blue Obelisk - interoperability in chemical informatics by Guha (2006)
10.1002/cmdc.200800384 / ChemMedChem / CypScore: quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory by Hennemann (2009)
10.1016/0003-2670(94)80342-0 / Anal. Chim. Acta / Algorithm for computer perception of topological symmetry by Hu (1994)
10.1124/dmd.30.1.7 / Drug Metab. Dispos. / Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction by Jones (2002)
10.1517/17425255.4.9.1181 / Expert Opin. Drug Metab. Toxicol. / Human cytochromes P450 in the metabolism of drugs: new molecular models of enzyme-substrate interactions by Lewis (2008)
10.1021/c160017a018 / J. Chem. Doc. / Generation of a unique machine description for chemical structures-a technique developed at chemical abstracts service by Morgan (1965)
10.1021/jm060551l / J. Med. Chem. / Prediction of activation energies for hydrogen abstraction by cytochrome. P450 by Olsen (2006)
10.1021/ct800101v / J. Chem. Theory Comput. / Sulfoxide, sulfur, and nitrogen oxidation and dealkylation by cytochrome P450 by Rydberg (2008)
10.1021/jp803854v / J. Phys. Chem. A / Prediction of activation energies for aromatic oxidation by cytochrome P450 by Rydberg (2008)
10.1021/ml100016x / 5th Joint Sheffield Conference on Chemoinformatics. / SMARTCyp: a 2D method for prediction of cytochrome P450-mediated drug metabolism by Rydberg (2010)
{'key': '2023012507523951400_B12', 'article-title': 'SMARTCyp: drug metabolism prediction based on DFT calculations of transition states', 'volume-title': '8th European Conference on Computational Chemistry.', 'author': 'Rydberg', 'year': '2010'} / 8th European Conference on Computational Chemistry. / SMARTCyp: drug metabolism prediction based on DFT calculations of transition states by Rydberg (2010)
10.1021/ml100016x / ACS Med. Chem. Lett. / SMARTCyp: a 2D method for prediction of cytochrome P450-mediated drug metabolism by Rydberg (2010)
10.1021/cr030722j / Chem. Rev. / Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes by Shaik (2005)
10.1021/ci025584y / J. Chem. Inf. Comput. Sci. / The Chemistry Development Kit (CDK): an open-source Java library for chemo- and bioinformatics by Steinbeck (2003)
10.2174/138161206777585274 / Curr. Pharm. Design / Recent developments of the Chemistry Development Kit (CDK) - an open-source Java library for chemo- and bioinformatics by Steinbeck (2006)
10.1006/abbi.1997.0302 / Arch. Biochem. Biophys. / Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes by Yamazaki (1997)
10.1093/bioinformatics/btp140 / Bioinformatics / Site of metabolism prediction for six biotransformations mediated by cytochromes P450 by Zheng (2009)

Dates

Type	When
Created	14 years, 10 months ago (Oct. 19, 2010, 12:15 a.m.)
Deposited	2 years, 6 months ago (Jan. 25, 2023, 2:52 a.m.)
Indexed	3 days, 7 hours ago (Aug. 20, 2025, 8:43 a.m.)
Issued	14 years, 10 months ago (Oct. 14, 2010)
Published	14 years, 10 months ago (Oct. 14, 2010)
Published Online	14 years, 10 months ago (Oct. 14, 2010)
Published Print	14 years, 8 months ago (Dec. 1, 2010)

Funders 0

None

BibTeX

@article{Rydberg_2010, title={The SMARTCyp cytochrome P450 metabolism prediction server}, volume={26}, ISSN={1367-4803}, url={http://dx.doi.org/10.1093/bioinformatics/btq584}, DOI={10.1093/bioinformatics/btq584}, number={23}, journal={Bioinformatics}, publisher={Oxford University Press (OUP)}, author={Rydberg, Patrik and Gloriam, David E. and Olsen, Lars}, year={2010}, month=oct, pages={2988–2989} }

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