Literature DB >> 27500460

Tertiary Element Interaction in HIV-1 TAR.

Konrad Krawczyk1, Adelene Y L Sim2, Bernhard Knapp3, Charlotte M Deane3, Peter Minary1.   

Abstract

HIV-1 replication requires binding to occur between Trans-activation Response Element (TAR) RNA and the TAT protein. This TAR-TAT binding depends on the conformation of TAR, and therapeutic development has attempted to exploit this dynamic behavior. Here we simulate TAR dynamics in the context of mutations inhibiting TAR binding. We find that two tertiary elements, the apical loop and the bulge, can interact directly, and this interaction may be linked to the affinity of TAR for TAT.

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Year:  2016        PMID: 27500460     DOI: 10.1021/acs.jcim.6b00152

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  3 in total

1.  Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA.

Authors:  Fardokht A Abulwerdi; Matthew D Shortridge; Joanna Sztuba-Solinska; Robert Wilson; Stuart F J Le Grice; Gabriele Varani; John S Schneekloth
Journal:  J Med Chem       Date:  2016-12-02       Impact factor: 7.446

2.  HLA-DM Stabilizes the Empty MHCII Binding Groove: A Model Using Customized Natural Move Monte Carlo.

Authors:  Samuel Demharter; Bernhard Knapp; Charlotte Deane; Peter Minary
Journal:  J Chem Inf Model       Date:  2019-05-28       Impact factor: 4.956

3.  Hierarchical natural move Monte Carlo refines flexible RNA structures into cryo-EM densities.

Authors:  Jeng-Yih Chang; Zhicheng Cui; Kailu Yang; Jianhua Huang; Peter Minary; Junjie Zhang
Journal:  RNA       Date:  2020-08-21       Impact factor: 4.942

  3 in total

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