Literature DB >> 18513968

Molecular model of the outward facing state of the human multidrug resistance protein 4 (MRP4/ABCC4).

Aina Westrheim Ravna1, Georg Sager.   

Abstract

ATP-binding cassette (ABC) transporter multidrug resistance protein 4 (MRP4, ABCC4) is involved in multidrug resistance (MDR), which is an increasing challenge to the treatment of cancer and infections. We have constructed a molecular model of ABCC4 based on the outward facing Sav1866 crystal structure using molecular modeling techniques. Amino acids reported by ICMPocketFinder to take part in substrate translocation were among others Glu103 (TMH1), Ser328 (TMH5), Gly359 (TMH6), Arg362 (TMH6), Val726 (TMH7), and Leu987 (TMH12), and their corresponding amino acids in ABCB1 (P-glycoprotein) have been reported to be involved in drug binding according to site-directed mutagenesis studies. The ABCC4 model may be used as a working tool for experimental studies on ABCC4 and design of more specific membrane transport modulating agents (MTMA).

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Year:  2008        PMID： 18513968     DOI： 10.1016/j.bmcl.2008.05.047

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  9 in total

1.  Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies.

Authors:  Georg Sager; Elin Ø Ørvoll; Roy A Lysaa; Irina Kufareva; Ruben Abagyan; Aina W Ravna
Journal:  J Med Chem       Date:  2012-03-20       Impact factor: 7.446

2.  Crucial role for phylogenetically conserved cytoplasmic loop 3 in ABCC4 protein expression.

Authors:  Satish B Cheepala; Ju Bao; Deepa Nachagari; Daxi Sun; Yao Wang; Tao P Zhong; Tao Zhong; Anjaparavanda P Naren; Jie Zheng; John D Schuetz
Journal:  J Biol Chem       Date:  2013-06-13       Impact factor: 5.157

3.  The human transporter associated with antigen processing: molecular models to describe peptide binding competent states.

Authors:  Valentina Corradi; Gurpreet Singh; D Peter Tieleman
Journal:  J Biol Chem       Date:  2012-06-14       Impact factor: 5.157

4.  Discovery of novel multidrug resistance protein 4 (MRP4) inhibitors as active agents reducing resistance to anticancer drug 6-Mercaptopurine (6-MP) by structure and ligand-based virtual screening.

Authors:  Ya Chen; Xia Yuan; Zhangping Xiao; Hongwei Jin; Liangren Zhang; Zhenming Liu
Journal:  PLoS One       Date:  2018-10-15       Impact factor: 3.240

5.  Study of Endogen Substrates, Drug Substrates and Inhibitors Binding Conformations on MRP4 and Its Variants by Molecular Docking and Molecular Dynamics.

Authors:  Edgardo Becerra; Giovanny Aguilera-Durán; Laura Berumen; Antonio Romo-Mancillas; Guadalupe García-Alcocer
Journal:  Molecules       Date:  2021-02-17       Impact factor: 4.411

6.  Binding site of ABC transporter homology models confirmed by ABCB1 crystal structure.

Authors:  Aina W Ravna; Ingebrigt Sylte; Georg Sager
Journal:  Theor Biol Med Model       Date:  2009-09-04       Impact factor: 2.432

7.  Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2'-deoxyuridine-5'-monophosphate on ABCC11 in silico models.

Authors:  Mylène Honorat; Raphaël Terreux; Pierre Falson; Attilio Di Pietro; Charles Dumontet; Lea Payen
Journal:  BMC Struct Biol       Date:  2013-05-06

8.  The molecular and physiological roles of ABCC6: more than meets the eye.

Authors:  Olivier Le Saux; Ludovic Martin; Zouhair Aherrahrou; Georges Leftheriotis; András Váradi; Christopher N Brampton
Journal:  Front Genet       Date:  2012-12-12       Impact factor: 4.599

9.  Functional Expression of Multidrug Resistance Protein 4 MRP4/ABCC4.

Authors:  David Hardy; Roslyn M Bill; Anass Jawhari; Alice J Rothnie
Journal:  SLAS Discov       Date:  2019-08-05       Impact factor: 3.341
  9 in total

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