dc.contributor.author | de Groot, M. J. | |
dc.contributor.author | Kirton, S. B. | |
dc.contributor.author | Sutcliffe, M. J. | |
dc.date.accessioned | 2013-08-21T14:15:00Z | |
dc.date.available | 2013-08-21T14:15:00Z | |
dc.date.issued | 2004 | |
dc.identifier.citation | de Groot , M J , Kirton , S B & Sutcliffe , M J 2004 , ' In silico methods for predicting ligand binding determinants of cytochromes P450 ' , Current Topics in Medicinal Chemistry , vol. 4 , no. 16 , pp. 1803-1824 . < http://www.benthamscience.com/ctmc/index.htm > | |
dc.identifier.issn | 1568-0266 | |
dc.identifier.uri | http://hdl.handle.net/2299/11435 | |
dc.description.abstract | A large number of computational methodologies have been used to predict, and thus help explain, the metabolism catalysed by the enzymes of the cytochrome P450 superfamily (P450s). A summary of the methodologies and resulting models is presented. This shows that investigations so far have focused on just a few of the many P450s, mainly those that are involved in drug metabolism. The models have evolved Prom simple comparisons of known substrates to more elaborate models requiring considerable computer power. These help to explain and, more importantly, predict the involvement of P450s in the metabolism of specific compounds. | en |
dc.format.extent | 22 | |
dc.language.iso | eng | |
dc.relation.ispartof | Current Topics in Medicinal Chemistry | |
dc.title | In silico methods for predicting ligand binding determinants of cytochromes P450 | en |
dc.contributor.institution | Natural Product Chemistry and Drug Design | |
dc.contributor.institution | Centre for Research into Topical Drug Delivery and Toxicology | |
dc.contributor.institution | Psychopharmacology, Drug Misuse and Novel Psychoactive Substances Unit | |
dc.contributor.institution | Centre for Research in Mechanisms of Disease and Drug Discovery | |
dc.contributor.institution | Department of Clinical, Pharmaceutical and Biological Science | |
dc.contributor.institution | Centre for Health Services and Clinical Research | |
dc.contributor.institution | School of Life and Medical Sciences | |
dc.description.status | Peer reviewed | |
dc.identifier.url | http://www.benthamscience.com/ctmc/index.htm | |
rioxxterms.type | Other | |
herts.preservation.rarelyaccessed | true | |