Literature DB >> 23740742

WhichCyp: prediction of cytochromes P450 inhibition.

Michal Rostkowski1, Ola Spjuth, Patrik Rydberg.   

Abstract

SUMMARY: In this work we present WhichCyp, a tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19, 2D6 and 3A4) a given molecule is likely to inhibit. The models are built from experimental high-throughput data using support vector machines and molecular signatures. AVAILABILITY: The WhichCyp server is freely available for use on the web at http://drug.ku.dk/whichcyp, where the WhichCyp Java program and source code is also available for download.

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Year:  2013        PMID： 23740742     DOI： 10.1093/bioinformatics/btt325

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


  13 in total

Review 1.  Predicting drug metabolism: experiment and/or computation?

Authors:  Johannes Kirchmair; Andreas H Göller; Dieter Lang; Jens Kunze; Bernard Testa; Ian D Wilson; Robert C Glen; Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2015-04-24       Impact factor: 84.694

2.  WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound.

Authors:  Peter A Hunt; Matthew D Segall; Jonathan D Tyzack
Journal:  J Comput Aided Mol Des       Date:  2018-02-20       Impact factor: 3.686

3.  A novel systems pharmacology model for herbal medicine injection: a case using Reduning injection.

Authors:  Haixing Yang; Wenjuan Zhang; Chao Huang; Wei Zhou; Yao Yao; Zhenzhong Wang; Yan Li; Wei Xiao; Yonghua Wang
Journal:  BMC Complement Altern Med       Date:  2014-11-04       Impact factor: 3.659

4.  The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

Authors:  Egon L Willighagen; John W Mayfield; Jonathan Alvarsson; Arvid Berg; Lars Carlsson; Nina Jeliazkova; Stefan Kuhn; Tomáš Pluskal; Miquel Rojas-Chertó; Ola Spjuth; Gilleain Torrance; Chris T Evelo; Rajarshi Guha; Christoph Steinbeck
Journal:  J Cheminform       Date:  2017-06-06       Impact factor: 5.514

5.  SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules.

Authors:  Antoine Daina; Olivier Michielin; Vincent Zoete
Journal:  Sci Rep       Date:  2017-03-03       Impact factor: 4.379

Review 6.  Descriptors of Cytochrome Inhibitors and Useful Machine Learning Based Methods for the Design of Safer Drugs.

Authors:  Tyler C Beck; Kyle R Beck; Jordan Morningstar; Menny M Benjamin; Russell A Norris
Journal:  Pharmaceuticals (Basel)       Date:  2021-05-17

7.  In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9.

Authors:  Serena Nembri; Francesca Grisoni; Viviana Consonni; Roberto Todeschini
Journal:  Int J Mol Sci       Date:  2016-06-09       Impact factor: 5.923

8.  XMetDB: an open access database for xenobiotic metabolism.

Authors:  Ola Spjuth; Patrik Rydberg; Egon L Willighagen; Chris T Evelo; Nina Jeliazkova
Journal:  J Cheminform       Date:  2016-09-15       Impact factor: 5.514

9.  Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence.

Authors:  Arramshetti Venkanna; Oh Wook Kwon; Sualiha Afzal; Cheongyun Jang; Kyo Hee Cho; Dharmendra K Yadav; Kang Kim; Hyeung-Geun Park; Kwang-Hoon Chun; Sun Yeou Kim; Mi-Hyun Kim
Journal:  Sci Rep       Date:  2017-10-02       Impact factor: 4.379

10.  SuperCYPsPred-a web server for the prediction of cytochrome activity.

Authors:  Priyanka Banerjee; Mathias Dunkel; Emanuel Kemmler; Robert Preissner
Journal:  Nucleic Acids Res       Date:  2020-07-02       Impact factor: 16.971
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