Science

Understanding the Rev-RRE Complex Using Computational Chemistry
Ann M. Knolhoff
Dr. Maria Nagan, Faculty Mentor

Infection with the human immunodeficiency virus (HIV) is potentially fatal and causes Acquired Immune Deficiency Syndrome (AIDS). One of the stages in the life cycle of HIV involves the recognition of Rev, a protein, to a portion of messenger ribonucleic acid (mRNA) called the Rev Response Element (RRE). Rev mediates the transport of viral mRNA from the nucleus to the cytoplasm, so that the cell can translate HIV proteins critical to the mature virus. Little is known about the mechanism of Rev-RRE recognition because current NMR structural data on the complex is ambiguous. This research uses computational chemistry to examine the intermolecular interactions between Rev amino acid side chains and RRE. Molecular dynamics simulations were completed on the Rev-RRE complex. Arginine contacts with specific portions of the RRE RNA bases and backbone were monitored over two separate two nanosecond trajectories. The data were collectively used to better characterize Rev-RRE recognition.

Keywords: computational, HIV, Rev-RRE, AIDS

Topic(s):Chemistry

Presentation Type: Oral Paper

Session: 23-2
Location: VH 1432
Time: 10:15

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