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Literature DB >> 20947523

The SMARTCyp cytochrome P450 metabolism prediction server.

Patrik Rydberg¹, David E Gloriam, Lars Olsen.

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.

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Year: 2010 PMID： 20947523 DOI： 10.1093/bioinformatics/btq584

Source DB: PubMed Journal: Bioinformatics ISSN： 1367-4803 Impact factor: 6.937

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Cited

28 in total

1. QSAR modeling: where have you been? Where are you going to?

Authors: Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal: J Med Chem Date: 2014-01-06 Impact factor: 7.446

The SMARTCyp cytochrome P450 metabolism prediction server.

1. QSAR modeling: where have you been? Where are you going to?

2. Metoclopramide is metabolized by CYP2D6 and is a reversible inhibitor, but not inactivator, of CYP2D6.

Review 3. Predicting drug metabolism: experiment and/or computation?

4. Navigating through the minefield of read-across tools: A review of in silico tools for grouping.

5. Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism.

6. Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6.

7. Mechanism-based inactivation of human cytochrome P450 3A4 by two piperazine-containing compounds.

8. New Proluciferin Substrates for Human CYP4 Family Enzymes.

9. RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.

Review 10. Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.