Tertiary Element Interaction in HIV-1 TAR.

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.

journal_name

J Chem Inf Model

authors

Krawczyk K,Sim AY,Knapp B,Deane CM,Minary P

doi

10.1021/acs.jcim.6b00152

subject

Has Abstract

pub_date

2016-09-26 00:00:00

pages

1746-54

issue

9

eissn

1549-9596

issn

1549-960X

journal_volume

56

pub_type

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