Literature DB >> 25307013

Computational approaches for modeling GPCR dimerization.

Xuan-Yu Meng, Mihaly Mezei, Meng Cui1.   

Abstract

Growing experimental evidences suggest that dimerization and oligomerization are important for G Protein- Coupled Receptors (GPCRs) function. The detailed structural information of dimeric/oligomeric GPCRs would be very important to understand their function. Although it is encouraging that recently several experimental GPCR structures in oligomeric forms have appeared, experimental determination of GPCR structures in oligomeric forms is still a big challenge, especially in mimicking the membrane environment. Therefore, development of computational approaches to predict dimerization of GPCRs will be highly valuable. In this review, we summarize computational approaches that have been developed and used for modeling of GPCR dimerization. In addition, we introduce a novel two-dimensional Brownian Dynamics based protein docking approach, which we have recently adapted, for GPCR dimer prediction.

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Year:  2014        PMID: 25307013      PMCID: PMC4237661          DOI: 10.2174/1389201015666141013102515

Source DB:  PubMed          Journal:  Curr Pharm Biotechnol        ISSN: 1389-2010            Impact factor:   2.837


  91 in total

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3.  Brownian dynamics study of the interaction between plastocyanin and cytochrome f.

Authors:  D C Pearson; E L Gross
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Review 4.  Oligomerization of G protein-coupled receptors: computational methods.

Authors:  J Selent; A A Kaczor
Journal:  Curr Med Chem       Date:  2011       Impact factor: 4.530

Review 5.  Single-molecule imaging revealed dynamic GPCR dimerization.

Authors:  Rinshi S Kasai; Akihiro Kusumi
Journal:  Curr Opin Cell Biol       Date:  2013-12-17       Impact factor: 8.382

6.  Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel.

Authors:  M Cui; J Shen; J M Briggs; X Luo; X Tan; H Jiang; K Chen; R Ji
Journal:  Biophys J       Date:  2001-04       Impact factor: 4.033

7.  Cholesterol depletion induces dynamic confinement of the G-protein coupled serotonin(1A) receptor in the plasma membrane of living cells.

Authors:  Thomas J Pucadyil; Amitabha Chattopadhyay
Journal:  Biochim Biophys Acta       Date:  2007-01-12

8.  Brownian dynamics study of cytochrome f interactions with cytochrome c6 and plastocyanin in Chlamydomonas reinhardtii plastocyanin, and cytochrome c6 mutants.

Authors:  Esmael J Haddadian; Elizabeth L Gross
Journal:  Biophys J       Date:  2004-12-30       Impact factor: 4.033

9.  Multiscale modelling to understand the self-assembly mechanism of human β2-adrenergic receptor in lipid bilayer.

Authors:  Anirban Ghosh; Uddhavesh Sonavane; Rajendra Joshi
Journal:  Comput Biol Chem       Date:  2013-11-16       Impact factor: 2.877

10.  Lessons from free energy simulations of delta-opioid receptor homodimers involving the fourth transmembrane helix.

Authors:  Davide Provasi; Jennifer M Johnston; Marta Filizola
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Review 2.  Computational Modeling of Realistic Cell Membranes.

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Review 3.  Membrane-Mediated Oligomerization of G Protein Coupled Receptors and Its Implications for GPCR Function.

Authors:  Stefan Gahbauer; Rainer A Böckmann
Journal:  Front Physiol       Date:  2016-10-25       Impact factor: 4.566

4.  Apelin receptor homodimer-oligomers revealed by single-molecule imaging and novel G protein-dependent signaling.

Authors:  Xin Cai; Bo Bai; Rumin Zhang; Chunmei Wang; Jing Chen
Journal:  Sci Rep       Date:  2017-01-16       Impact factor: 4.379

Review 5.  Methods used to study the oligomeric structure of G-protein-coupled receptors.

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Journal:  Biosci Rep       Date:  2017-04-20       Impact factor: 3.840

6.  Ghrelin Through GHSR1a and OX1R Heterodimers Reveals a Gαs-cAMP-cAMP Response Element Binding Protein Signaling Pathway in Vitro.

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Journal:  Front Mol Neurosci       Date:  2018-07-17       Impact factor: 5.639

7.  Mapping the Interface of a GPCR Dimer: A Structural Model of the A2A Adenosine and D2 Dopamine Receptor Heteromer.

Authors:  Dasiel O Borroto-Escuela; David Rodriguez; Wilber Romero-Fernandez; Jon Kapla; Mariama Jaiteh; Anirudh Ranganathan; Tzvetana Lazarova; Kjell Fuxe; Jens Carlsson
Journal:  Front Pharmacol       Date:  2018-08-30       Impact factor: 5.810

Review 8.  Integration and Spatial Organization of Signaling by G Protein-Coupled Receptor Homo- and Heterodimers.

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Journal:  Biomolecules       Date:  2021-12-03
  8 in total

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