Abstract：
:Cytochrome P450 enzymes (CYPs) form one of the most important enzyme families involved in the metabolism of xenobiotics. CYPs comprise many isoforms, which catalyze a wide variety of reactions, and potentially, a large number of different metabolites can be formed. However, it is often hard to rationalize what metabolites these enzymes generate. In recent years, many different in silico approaches have been developed to predict binding or regioselective product formation for the different CYP isoforms. These comprise ligand-based methods that are trained on experimental CYP data and structure-based methods that consider how the substrate is oriented in the active site or/and how reactive the part of the substrate that is accessible to the heme group is. We will review key aspects for various approaches that are available to predict binding and site of metabolism (SOM), what outcome can be expected from the predictions, and how they could potentially be improved.
journal_name
Adv Drug Deliv Revjournal_title
Advanced drug delivery reviewsauthors
Olsen L,Oostenbrink C,Jørgensen FSdoi
10.1016/j.addr.2015.04.020subject
Has Abstractpub_date
2015-06-23 00:00:00pages
61-71eissn
0169-409Xissn
1872-8294pii
S0169-409X(15)00084-8journal_volume
86pub_type
杂志文章,评审abstract：:A great deal of interest has surrounded the activities of monoclonal antibodies (mAbs), and mAb-drug, toxin and radionuclide conjugates for the treatment of human cancers. In the last few years, a number of new mAb-based reagents have been clinically approved (Rituxan, Herceptin, and Panorex), and several others are n...
journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2010.08.001
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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更新日期：2014-06-01 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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更新日期：2020-01-01 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/s0169-409x(00)00076-4
更新日期：2000-09-15 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章
doi：10.1016/j.addr.2013.11.003
更新日期：2014-06-01 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/s0169-409x(02)00023-6
更新日期：2002-06-17 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2014.11.022
更新日期：2015-04-01 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2009.05.009
更新日期：2009-11-30 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/s0169-409x(01)00123-5
更新日期：2001-07-02 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2015.02.004
更新日期：2015-09-15 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2005.01.025
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journal_title：Advanced drug delivery reviews
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更新日期：2018-09-01 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/s0169-409x(03)00120-0
更新日期：2003-09-12 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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更新日期：2017-05-15 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2007.11.007
更新日期：2008-05-22 00:00:00
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journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
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更新日期：2003-08-28 00:00:00
abstract：:In this review we discuss mucus, the viscoelastic secretion from goblet or mucous producing cells that lines the epithelial surfaces of all organs exposed to the external world. Mucus is a complex aqueous fluid that owes its viscoelastic, lubricating and hydration properties to the glycoprotein mucin combined with ele...
journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2017.09.023
更新日期：2018-01-15 00:00:00
abstract：:There is an urgent need for new strategies to combat infectious diseases in developing countries. Many pathogens have evolved to elude immunity and this has limited the utility of current therapies. Additionally, the emergence of co-infections and drug resistant pathogens has increased the need for advanced therapeuti...
journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2009.11.011
更新日期：2010-03-18 00:00:00
abstract：:The bloodstream is the main transporting pathway for drug delivery systems (DDS) from the site of administration to the intended site of action. In many cases, components of the vascular system represent therapeutic targets. Endothelial cells, which line the luminal surface of the vasculature, play a tripartite role o...
journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2020.06.013
更新日期：2020-01-01 00:00:00
abstract：:Poly(lactic acid) (PLA), so far, is the most extensively researched and utilized biodegradable aliphatic polyester in human history. Due to its merits, PLA is a leading biomaterial for numerous applications in medicine as well as in industry replacing conventional petrochemical-based polymers. The main purpose of this...
journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2016.06.012
更新日期：2016-12-15 00:00:00
abstract：:Topical delivery to the various regions of the skin and underlying tissues, transdermal drug delivery and dermal exposure to environmental chemicals are important areas of research. Mathematical models of epidermal and dermal transport, involving penetration of a solute through various layers of the skin, metabolism i...
journal_title：Advanced drug delivery reviews
pub_type： 杂志文章,评审
doi：10.1016/j.addr.2012.04.009
更新日期：2013-02-01 00:00:00
