The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein-a well-known, yet poorly understood drug transporter
- Publication type:
- Journal article
- Metadata:
-
- Autoren
- Maen Zeino
- Mohamed EM Saeed
- Onat Kadioglu
- Thomas Efferth
- Autoren-URL
- https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000339817800005&DestLinkType=FullRecord&DestApp=WOS_CPL
- DOI
- 10.1007/s10637-014-0098-1
- eISSN
- 1573-0646
- Externe Identifier
- Clarivate Analytics Document Solution ID: AM4IS
- PubMed Identifier: 24748336
- ISSN
- 0167-6997
- Ausgabe der Veröffentlichung
- 4
- Zeitschrift
- INVESTIGATIONAL NEW DRUGS
- Schlüsselwörter
- ABC transporter
- Cancer
- Chemotherapy
- Multidrug resistance
- Paginierung
- 618 - 625
- Datum der Veröffentlichung
- 2014
- Status
- Published
- Titel
- The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein-a well-known, yet poorly understood drug transporter
- Sub types
- Article
- Ausgabe der Zeitschrift
- 32
Data source: Web of Science (Lite)
- Other metadata sources:
-
- Autoren
- Maen Zeino
- Mohamed EM Saeed
- Onat Kadioglu
- Thomas Efferth
- DOI
- 10.1007/s10637-014-0098-1
- eISSN
- 1573-0646
- ISSN
- 0167-6997
- Ausgabe der Veröffentlichung
- 4
- Zeitschrift
- Investigational New Drugs
- Sprache
- en
- Online publication date
- 2014
- Paginierung
- 618 - 625
- Datum der Veröffentlichung
- 2014
- Status
- Published
- Herausgeber
- Springer Science and Business Media LLC
- Herausgeber URL
- http://dx.doi.org/10.1007/s10637-014-0098-1
- Datum der Datenerfassung
- 2023
- Titel
- The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein—a well-known, yet poorly understood drug transporter
- Ausgabe der Zeitschrift
- 32
Data source: Crossref
- Abstract
- P-glycoprotein is the most crucial membrane transporter implicated in tumor resistance. Intensive efforts were paid to elucidate the complex mechanism of transport and to identify modulators of this transporter. However, the borderline between substrates and modulators is very thin and identification of the binding sites within P-glycoprotein is complex. Herein, we provide an intensive review of those issues and use molecular docking to assess its ability: first, to differentiate between three groups (substrates, modulators and non-substrates) and second to identify the binding sites. After thorough statistical analysis, we conclude despite the various challenges that molecular docking should not be underestimated as differences between the distinct groups were significant. However, when it comes to defining the binding site, care must be taken, since consensus throughout literature could not be reached.
- Addresses
- Department of Pharmaceutical Biology, Institute of Pharmacy and Biochemistry, Johannes Gutenberg University, Staudinger Weg 5, 55128, Mainz, Rhineland-Palatinate, Germany.
- Autoren
- Maen Zeino
- Mohamed EM Saeed
- Onat Kadioglu
- Thomas Efferth
- Thomas Efferth
- DOI
- 10.1007/s10637-014-0098-1
- eISSN
- 1573-0646
- Externe Identifier
- PubMed Identifier: 24748336
- Open access
- false
- ISSN
- 0167-6997
- Ausgabe der Veröffentlichung
- 4
- Zeitschrift
- Investigational new drugs
- Schlüsselwörter
- Humans
- Membrane Transport Proteins
- Pharmaceutical Preparations
- Binding Sites
- Biological Transport
- Molecular Docking Simulation
- ATP Binding Cassette Transporter, Subfamily B, Member 1
- Sprache
- eng
- Medium
- Print-Electronic
- Online publication date
- 2014
- Paginierung
- 618 - 625
- Datum der Veröffentlichung
- 2014
- Status
- Published
- Datum der Datenerfassung
- 2014
- Titel
- The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein--a well-known, yet poorly understood drug transporter.
- Sub types
- Review
- Journal Article
- Ausgabe der Zeitschrift
- 32
Data source: Europe PubMed Central
- Abstract
- P-glycoprotein is the most crucial membrane transporter implicated in tumor resistance. Intensive efforts were paid to elucidate the complex mechanism of transport and to identify modulators of this transporter. However, the borderline between substrates and modulators is very thin and identification of the binding sites within P-glycoprotein is complex. Herein, we provide an intensive review of those issues and use molecular docking to assess its ability: first, to differentiate between three groups (substrates, modulators and non-substrates) and second to identify the binding sites. After thorough statistical analysis, we conclude despite the various challenges that molecular docking should not be underestimated as differences between the distinct groups were significant. However, when it comes to defining the binding site, care must be taken, since consensus throughout literature could not be reached.
- Date of acceptance
- 2014
- Autoren
- Maen Zeino
- Mohamed EM Saeed
- Onat Kadioglu
- Thomas Efferth
- Autoren-URL
- https://www.ncbi.nlm.nih.gov/pubmed/24748336
- DOI
- 10.1007/s10637-014-0098-1
- eISSN
- 1573-0646
- Ausgabe der Veröffentlichung
- 4
- Zeitschrift
- Invest New Drugs
- Schlüsselwörter
- ATP Binding Cassette Transporter, Subfamily B, Member 1
- Binding Sites
- Biological Transport
- Humans
- Membrane Transport Proteins
- Molecular Docking Simulation
- Pharmaceutical Preparations
- Sprache
- eng
- Country
- United States
- Paginierung
- 618 - 625
- Datum der Veröffentlichung
- 2014
- Status
- Published
- Datum, an dem der Datensatz öffentlich gemacht wurde
- 2015
- Titel
- The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein--a well-known, yet poorly understood drug transporter.
- Sub types
- Journal Article
- Review
- Ausgabe der Zeitschrift
- 32
Data source: PubMed
- Beziehungen:
- Property of